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

Systemtic Name: N-[3-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]pyridine-3-carboxamide Openeye Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]pyridine-3-carboxamide CAS Name: N-[3-[[3-aminopropyl-[(4-cyanophenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]-4-chlorophenyl]pyridine-3-carboxamide Traditional Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]nicotinamide Formula: C24H22ClN5O2 MolecularWeight: 447.91678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H22ClN5O2/c25-22-9-8-21(29-23(31)19-3-1-11-28-15-19)13-20(22)16-30(12-2-10-26)24(32)18-6-4-17(14-27)5-7-18/h1,3-9,11,13,15H,2,10,12,16,26H2,(H,29,31)