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

Systemtic Name: N-[3-[[3-azanylpropyl-(4-methoxyphenyl)carbonyl-amino]methyl]phenyl]-4-cyano-benzamide Openeye Name: N-[3-[[3-aminopropyl-(4-methoxybenzoyl)amino]methyl]phenyl]-4-cyano-benzamide CAS Name: N-[3-[[3-aminopropyl-[(4-methoxyphenyl)-oxomethyl]amino]methyl]phenyl]-4-cyanobenzamide IUPAC Name: N-[3-[[3-aminopropyl-(4-methoxybenzoyl)amino]methyl]phenyl]-4-cyanobenzamide Traditional Name: N-[3-[[3-aminopropyl(p-anisoyl)amino]methyl]phenyl]-4-cyano-benzamide Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3/c1-33-24-12-10-22(11-13-24)26(32)30(15-3-14-27)18-20-4-2-5-23(16-20)29-25(31)21-8-6-19(17-28)7-9-21/h2,4-13,16H,3,14-15,18,27H2,1H3,(H,29,31)