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

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]pyridine-3-carboxamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]pyridine-3-carboxamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chlorophenyl]pyridine-3-carboxamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]nicotinamide Formula: C27H26ClN5O2 MolecularWeight: 487.98064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClN5O2/c28-25-12-9-23(32-26(34)20-2-1-13-31-16-20)14-21(25)17-33(24-10-7-22(30)8-11-24)27(35)19-5-3-18(15-29)4-6-19/h1-6,9,12-14,16,22,24H,7-8,10-11,17,30H2,(H,32,34)