N-(3-azanylpropyl)-N-[[2-chloranyl-5-[(4-methoxyphenyl)carbonylamino]phenyl]methyl]-4-cyano-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[[2-chloranyl-5-[(4-methoxyphenyl)carbonylamino]phenyl]methyl]-4-cyano-benzamide Openeye Name: N-(3-aminopropyl)-N-[[2-chloro-5-[(4-methoxybenzoyl)amino]phenyl]methyl]-4-cyano-benzamide CAS Name: N-(3-aminopropyl)-N-[[2-chloro-5-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]methyl]-4-cyanobenzamide IUPAC Name: N-(3-aminopropyl)-N-[[2-chloro-5-[(4-methoxybenzoyl)amino]phenyl]methyl]-4-cyanobenzamide Traditional Name: N-(3-aminopropyl)-N-[2-chloro-5-(p-anisoylamino)benzyl]-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)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

InChI

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