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

Systemtic Name: N-(3-azanylpropyl)-4-cyano-N-[[3-(2-phenoxyethanoylamino)phenyl]methyl]benzamide Openeye Name: N-(3-aminopropyl)-4-cyano-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]benzamide CAS Name: N-(3-aminopropyl)-4-cyano-N-[[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]methyl]benzamide IUPAC Name: N-(3-aminopropyl)-4-cyano-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]benzamide Traditional Name: N-(3-aminopropyl)-4-cyano-N-[3-[(2-phenoxyacetyl)amino]benzyl]benzamide Formula: C26H26N4O3 MolecularWeight: 442.50964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3/c27-14-5-15-30(26(32)22-12-10-20(17-28)11-13-22)18-21-6-4-7-23(16-21)29-25(31)19-33-24-8-2-1-3-9-24/h1-4,6-13,16H,5,14-15,18-19,27H2,(H,29,31)