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CHEBI:45439 - N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE

Default Structure
ChEBI IDCHEBI:45439
ChEBI NameN-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC28H31N5O4
Net Charge0
Average Mass501.587
Monoisotopic Mass501.23760
SMILES[H]Oc1c([H])c([H])c(N(C([H])([H])[H])C([H])([H])[H])c([H])c1C(=O)c1c([H])c([H])c(C(=O)N([H])[C@]2([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])[C@@]2([H])N([H])C(=O)c2c([H])c([H])nc([H])c2[H])c([H])c1[H]
InChIInChI=1S/C28H31N5O4/c1-33(2)21-9-10-25(34)22(16-21)26(35)18-5-7-19(8-6-18)27(36)31-23-4-3-13-30-17-24(23)32-28(37)20-11-14-29-15-12-20/h5-12,14-16,23-24,30,34H,3-4,13,17H2,1-2H3,(H,31,36)(H,32,37)/t23-,24-/m1/s1
InChIKeyNYQLXXDGJNYPPH-DNQXCXABSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE (CHEBI:45439) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-[(3R,4R)-4-{[(4-{[5-(dimethylamino)-2-hydroxyphenyl]carbonyl}phenyl)carbonyl]amino}azepan-3-yl]pyridine-4-carboxamidePDBeChem
N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDEPDBeChem
Manual XrefsDatabases
R69PDBeChem