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

Systemtic Name: N-[3-[[3-azanylpropyl(phenylcarbonyl)amino]methyl]-4-chloranyl-phenyl]pyridine-4-carboxamide Openeye Name: N-[3-[[3-aminopropyl(benzoyl)amino]methyl]-4-chloro-phenyl]pyridine-4-carboxamide CAS Name: N-[3-[[3-aminopropyl(benzoyl)amino]methyl]-4-chlorophenyl]-4-pyridinecarboxamide IUPAC Name: N-[3-[[3-aminopropyl(benzoyl)amino]methyl]-4-chlorophenyl]pyridine-4-carboxamide Traditional Name: N-[3-[[3-aminopropyl(benzoyl)amino]methyl]-4-chloro-phenyl]isonicotinamide Formula: C23H23ClN4O2 MolecularWeight: 422.90732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN4O2/c24-21-8-7-20(27-22(29)17-9-12-26-13-10-17)15-19(21)16-28(14-4-11-25)23(30)18-5-2-1-3-6-18/h1-3,5-10,12-13,15H,4,11,14,16,25H2,(H,27,29)