N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-(2-phenoxyethanoylamino)phenyl]methyl]-4-cyano-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-(2-phenoxyethanoylamino)phenyl]methyl]-4-cyano-benzamide Openeye Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]-4-cyano-benzamide CAS Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(1-oxo-2-phenoxyethyl)amino]phenyl]methyl]-4-cyanobenzamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]-4-cyanobenzamide Traditional Name: N-(4-aminocyclohexyl)-N-[2-chloro-5-[(2-phenoxyacetyl)amino]benzyl]-4-cyano-benzamide Formula: C29H29ClN4O3 MolecularWeight: 517.01856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=C(C=CC(=C2)NC(=O)COC3=CC=CC=C3)Cl)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(CCC1N)N(CC2=C(C=CC(=C2)NC(=O)COC3=CC=CC=C3)Cl)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H29ClN4O3/c30-27-15-12-24(33-28(35)19-37-26-4-2-1-3-5-26)16-22(27)18-34(25-13-10-23(32)11-14-25)29(36)21-8-6-20(17-31)7-9-21/h1-9,12,15-16,23,25H,10-11,13-14,18-19,32H2,(H,33,35)