CHEBI:111320 - 1-(2-chloro-4-methylphenyl)-3-[[1-[(3-chlorophenyl)methyl]-4-piperidinyl]methyl]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(2-chloro-4-methylphenyl)-3-[[1-[(3-chlorophenyl)methyl]-4-piperidinyl]methyl]urea
ChEBI ID CHEBI:111320
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H25Cl2N3O
Net Charge 0
Average Mass 406.349
Monoisotopic Mass 405.13747
InChI InChI=1S/C21H25Cl2N3O/c1-15-5-6-20(19(23)11-15)25-21(27)24-13-16-7-9-26(10-8-16)14-17-3-2-4-18(22)12-17/h2-6,11-12,16H,7-10,13-14H2,1H3,(H2,24,25,27)
InChIKey HZOLXPYFFFKORT-UHFFFAOYSA-N
SMILES CC1=CC(=C(C=C1)NC(=O)NCC2CCN(CC2)CC3=CC(=CC=C3)Cl)Cl
ChEBI Ontology
Outgoing 1-(2-chloro-4-methylphenyl)-3-[[1-[(3-chlorophenyl)methyl]-4-piperidinyl]methyl]urea (CHEBI:111320) is a piperidines (CHEBI:26151)
Manual Xref Database
LSM-22776 LINCS
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