N-[3-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]-4-chloranyl-phenyl]pyridine-3-carboxamide

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]-4-chloranyl-phenyl]pyridine-3-carboxamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]pyridine-3-carboxamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]-4-chlorophenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chlorophenyl]pyridine-3-carboxamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]nicotinamide Formula: C26H33ClN4O2 MolecularWeight: 469.01882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)C3=CN=CC=C3)Cl)C4CCC(CC4)N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)C3=CN=CC=C3)Cl)C4CCC(CC4)N

InChI

InChI=1S/C26H33ClN4O2/c27-24-13-10-22(30-25(32)19-7-4-14-29-16-19)15-20(24)17-31(23-11-8-21(28)9-12-23)26(33)18-5-2-1-3-6-18/h4,7,10,13-16,18,21,23H,1-3,5-6,8-9,11-12,17,28H2,(H,30,32)