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

Systemtic Name: N-[3-[[3-azanylpropyl-(4-methoxyphenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]-4-cyano-benzamide Openeye Name: N-[3-[[3-aminopropyl-(4-methoxybenzoyl)amino]methyl]-4-chloro-phenyl]-4-cyano-benzamide CAS Name: N-[3-[[3-aminopropyl-[(4-methoxyphenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-4-cyanobenzamide IUPAC Name: N-[3-[[3-aminopropyl-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]-4-cyanobenzamide Traditional Name: N-[3-[[3-aminopropyl(p-anisoyl)amino]methyl]-4-chloro-phenyl]-4-cyano-benzamide Formula: C26H25ClN4O3 MolecularWeight: 476.9547

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CCCN)CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CCCN)CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C26H25ClN4O3/c1-34-23-10-7-20(8-11-23)26(33)31(14-2-13-28)17-21-15-22(9-12-24(21)27)30-25(32)19-5-3-18(16-29)4-6-19/h3-12,15H,2,13-14,17,28H2,1H3,(H,30,32)