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

Systemtic Name: N-[3-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-3-chloranyl-benzamide Openeye Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-3-chloro-benzamide CAS Name: N-[3-[[3-aminopropyl-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-3-chlorobenzamide IUPAC Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-3-chlorobenzamide Traditional Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-3-chloro-benzamide Formula: C25H23ClN4O2 MolecularWeight: 446.92872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN4O2/c26-22-6-2-5-21(15-22)24(31)29-23-7-1-4-19(14-23)17-30(13-3-12-27)25(32)20-10-8-18(16-28)9-11-20/h1-2,4-11,14-15H,3,12-13,17,27H2,(H,29,31)