N-[3-[[(2-azanylcyclohexyl)-(4-methoxyphenyl)carbonyl-amino]methyl]phenyl]pyridine-4-carboxamide

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-(4-methoxyphenyl)carbonyl-amino]methyl]phenyl]pyridine-4-carboxamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[(4-methoxyphenyl)-oxomethyl]amino]methyl]phenyl]-4-pyridinecarboxamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-p-anisoyl-amino]methyl]phenyl]isonicotinamide Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC=NC=C3)C4CCCCC4N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC=NC=C3)C4CCCCC4N

InChI

InChI=1S/C27H30N4O3/c1-34-23-11-9-21(10-12-23)27(33)31(25-8-3-2-7-24(25)28)18-19-5-4-6-22(17-19)30-26(32)20-13-15-29-16-14-20/h4-6,9-17,24-25H,2-3,7-8,18,28H2,1H3,(H,30,32)