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

Systemtic Name: N-[4-[[(4-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-3-methoxy-benzamide Openeye Name: N-[4-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-3-methoxy-benzamide CAS Name: N-[4-[[(4-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-3-methoxybenzamide IUPAC Name: N-[4-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-3-methoxybenzamide Traditional Name: N-[4-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-3-methoxy-benzamide Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)CN(C3CCC(CC3)N)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)CN(C3CCC(CC3)N)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H30N4O3/c1-36-27-4-2-3-23(17-27)28(34)32-25-13-7-21(8-14-25)19-33(26-15-11-24(31)12-16-26)29(35)22-9-5-20(18-30)6-10-22/h2-10,13-14,17,24,26H,11-12,15-16,19,31H2,1H3,(H,32,34)