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

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]pyridine-3-carboxamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]nicotinamide Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC(=CC=C2)NC(=O)C3=CN=CC=C3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC(=CC=C2)NC(=O)C3=CN=CC=C3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H27N5O2/c28-16-19-6-8-21(9-7-19)27(34)32(25-12-10-23(29)11-13-25)18-20-3-1-5-24(15-20)31-26(33)22-4-2-14-30-17-22/h1-9,14-15,17,23,25H,10-13,18,29H2,(H,31,33)