N-[4-[[(2-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-3-methoxy-benzamide

Systemtic Name: N-[4-[[(2-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-3-methoxy-benzamide Openeye Name: N-[4-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-3-methoxy-benzamide CAS Name: N-[4-[[(2-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-3-methoxybenzamide IUPAC Name: N-[4-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-3-methoxybenzamide Traditional Name: N-[4-[[(2-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(C3CCCCC3N)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)CN(C3CCCCC3N)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H30N4O3/c1-36-25-6-4-5-23(17-25)28(34)32-24-15-11-21(12-16-24)19-33(27-8-3-2-7-26(27)31)29(35)22-13-9-20(18-30)10-14-22/h4-6,9-17,26-27H,2-3,7-8,19,31H2,1H3,(H,32,34)