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

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]pyridine-4-carboxamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-4-pyridinecarboxamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]isonicotinamide Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=NC=C3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=NC=C3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H27N5O2/c28-17-19-8-10-22(11-9-19)27(34)32(25-7-2-1-6-24(25)29)18-20-4-3-5-23(16-20)31-26(33)21-12-14-30-15-13-21/h3-5,8-16,24-25H,1-2,6-7,18,29H2,(H,31,33)