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

Systemtic Name: N-(3-azanylpropyl)-4-cyano-N-[[3-(2-phenylethanoylamino)phenyl]methyl]benzamide Openeye Name: N-(3-aminopropyl)-4-cyano-N-[[3-[(2-phenylacetyl)amino]phenyl]methyl]benzamide CAS Name: N-(3-aminopropyl)-4-cyano-N-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]methyl]benzamide IUPAC Name: N-(3-aminopropyl)-4-cyano-N-[[3-[(2-phenylacetyl)amino]phenyl]methyl]benzamide Traditional Name: N-(3-aminopropyl)-4-cyano-N-[3-[(2-phenylacetyl)amino]benzyl]benzamide Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O2/c27-14-5-15-30(26(32)23-12-10-21(18-28)11-13-23)19-22-8-4-9-24(16-22)29-25(31)17-20-6-2-1-3-7-20/h1-4,6-13,16H,5,14-15,17,19,27H2,(H,29,31)