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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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