N-[3-[[(4-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-4-cyano-benzamide

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-4-cyano-benzamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-4-cyano-benzamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-4-cyanobenzamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-4-cyanobenzamide Traditional Name: N-[3-[[(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(=CC=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(=CC=C2)NC(=O)C3=CC=C(C=C3)C#N)C(=O)C4=CC=C(C=C4)C#N

InChI

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