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

Systemtic Name: N-(3-azanylpropyl)-N-[[2-chloranyl-5-(2-phenoxyethanoylamino)phenyl]methyl]-4-cyano-benzamide Openeye Name: N-(3-aminopropyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]-4-cyano-benzamide CAS Name: N-(3-aminopropyl)-N-[[2-chloro-5-[(1-oxo-2-phenoxyethyl)amino]phenyl]methyl]-4-cyanobenzamide IUPAC Name: N-(3-aminopropyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]-4-cyanobenzamide Traditional Name: N-(3-aminopropyl)-N-[2-chloro-5-[(2-phenoxyacetyl)amino]benzyl]-4-cyano-benzamide Formula: C26H25ClN4O3 MolecularWeight: 476.9547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25ClN4O3/c27-24-12-11-22(30-25(32)18-34-23-5-2-1-3-6-23)15-21(24)17-31(14-4-13-28)26(33)20-9-7-19(16-29)8-10-20/h1-3,5-12,15H,4,13-14,17-18,28H2,(H,30,32)