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

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-(4-methoxyphenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]pyridine-3-carboxamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chloro-phenyl]pyridine-3-carboxamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[(4-methoxyphenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]pyridine-3-carboxamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-p-anisoyl-amino]methyl]-4-chloro-phenyl]nicotinamide Formula: C27H29ClN4O3 MolecularWeight: 492.99716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29ClN4O3/c1-35-22-11-8-18(9-12-22)27(34)32(25-7-3-2-6-24(25)29)17-20-15-21(10-13-23(20)28)31-26(33)19-5-4-14-30-16-19/h4-5,8-16,24-25H,2-3,6-7,17,29H2,1H3,(H,31,33)