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

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-3-methoxy-benzamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-3-methoxy-benzamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-3-methoxybenzamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-3-methoxybenzamide Traditional Name: N-[3-[[(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=CC(=C2)CN(C3CCC(CC3)N)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

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

InChI

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