CHEBI:231425 - N-{4-[(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-{4-[(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide
ChEBI ID CHEBI:231425
ChEBI ASCII Name N-{4-[(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide
Definition A member of the class of benzazepines that is 2,3,4,5-tetrahydro-1H-1-benzazepine substituted by 2-methyl-4-(2-methylbenzamido)benzoyl, hydroxy, and chloro groups at positions 1, 5, and 7, respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H25ClN2O3
Net Charge 0
Average Mass 448.950
Monoisotopic Mass 448.15537
InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
InChIKey GYHCTFXIZSNGJT-UHFFFAOYSA-N
SMILES CC1=CC=CC=C1C(=O)NC1=CC(C)=C(C=C1)C(=O)N1CCCC(O)C2=CC(Cl)=CC=C12
ChEBI Ontology
Outgoing N-{4-[(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide (CHEBI:231425) is a benzamides (CHEBI:22702)
N-{4-[(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide (CHEBI:231425) is a benzazepine (CHEBI:35676)
N-{4-[(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide (CHEBI:231425) is a organochlorine compound (CHEBI:36683)
N-{4-[(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide (CHEBI:231425) is a secondary alcohol (CHEBI:35681)
N-{4-[(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide (CHEBI:231425) is a secondary carboxamide (CHEBI:140325)
N-{4-[(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide (CHEBI:231425) is a tertiary carboxamide (CHEBI:140326)
N-{4-[(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide (CHEBI:231425) is a toluenes (CHEBI:27024)
Incoming (R)-tolvaptan (CHEBI:231426) is a N-{4-[(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide (CHEBI:231425)
(S)-tolvaptan (CHEBI:231424) is a N-{4-[(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide (CHEBI:231425)
IUPAC Name
N-{4-[(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide
Synonyms Sources
1-[4-(2-methylbenzoylamino)-2-methylbenzoyl]-7-chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-ol ChEBI
N-[4-[(7-chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide ChEBI
Last Modified
15 May 2024
General Comment
2024-05-15 Please note that this is the entry for material with unspecified stereochemistry. There are separate entries for the racemate (tolvaptan) and its individual enantiomers (R)- and (S)-tolvaptan.