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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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