N-[3-[[(4-azanylcyclohexyl)-(3,4-dimethoxyphenyl)carbonyl-amino]methyl]phenyl]pyridine-3-carboxamide

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-(3,4-dimethoxyphenyl)carbonyl-amino]methyl]phenyl]pyridine-3-carboxamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(3,4-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[(3,4-dimethoxyphenyl)-oxomethyl]amino]methyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(3,4-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-veratroyl-amino]methyl]phenyl]nicotinamide Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CN=CC=C3)C4CCC(CC4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CN=CC=C3)C4CCC(CC4)N)OC

InChI

InChI=1S/C28H32N4O4/c1-35-25-13-8-20(16-26(25)36-2)28(34)32(24-11-9-22(29)10-12-24)18-19-5-3-7-23(15-19)31-27(33)21-6-4-14-30-17-21/h3-8,13-17,22,24H,9-12,18,29H2,1-2H3,(H,31,33)