N-[3-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]-2-methoxy-benzamide

Systemtic Name: N-[3-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]-2-methoxy-benzamide Openeye Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]-2-methoxy-benzamide CAS Name: N-[3-[[3-aminopropyl-[(4-cyanophenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-2-methoxybenzamide IUPAC Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]-4-chlorophenyl]-2-methoxybenzamide Traditional Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]-2-methoxy-benzamide Formula: C26H25ClN4O3 MolecularWeight: 476.9547

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H25ClN4O3/c1-34-24-6-3-2-5-22(24)25(32)30-21-11-12-23(27)20(15-21)17-31(14-4-13-28)26(33)19-9-7-18(16-29)8-10-19/h2-3,5-12,15H,4,13-14,17,28H2,1H3,(H,30,32)