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

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]pyridine-4-carboxamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]pyridine-4-carboxamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-4-pyridinecarboxamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chlorophenyl]pyridine-4-carboxamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]isonicotinamide 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=CC=NC=C3)Cl)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

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

InChI

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