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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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