N-[4-[[(4-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-4-cyano-benzamide

Systemtic Name: N-[4-[[(4-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-4-cyano-benzamide Openeye Name: N-[4-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-4-cyano-benzamide CAS Name: N-[4-[[(4-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-4-cyanobenzamide IUPAC Name: N-[4-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-4-cyanobenzamide Traditional Name: N-[4-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-4-cyano-benzamide Formula: C29H27N5O2 MolecularWeight: 477.55698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27N5O2/c30-17-20-1-7-23(8-2-20)28(35)33-26-13-5-22(6-14-26)19-34(27-15-11-25(32)12-16-27)29(36)24-9-3-21(18-31)4-10-24/h1-10,13-14,25,27H,11-12,15-16,19,32H2,(H,33,35)