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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)N(CCCN)CC2=C(C=CC(=C2)NC(=O)C3=CC=NC=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)N(CCCN)CC2=C(C=CC(=C2)NC(=O)C3=CC=NC=C3)Cl

InChI

InChI=1S/C24H22ClN5O2/c25-22-7-6-21(29-23(31)18-8-11-28-12-9-18)14-20(22)16-30(13-1-10-26)24(32)19-4-2-17(15-27)3-5-19/h2-9,11-12,14H,1,10,13,16,26H2,(H,29,31)