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

Systemtic Name: N-(3-azanylpropyl)-N-[[4-(2-phenoxyethanoylamino)phenyl]methyl]benzamide Openeye Name: N-(3-aminopropyl)-N-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]benzamide CAS Name: N-(3-aminopropyl)-N-[[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]methyl]benzamide IUPAC Name: N-(3-aminopropyl)-N-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]benzamide Traditional Name: N-(3-aminopropyl)-N-[4-[(2-phenoxyacetyl)amino]benzyl]benzamide Formula: C25H27N3O3 MolecularWeight: 417.50018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N(CCCN)CC2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N(CCCN)CC2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O3/c26-16-7-17-28(25(30)21-8-3-1-4-9-21)18-20-12-14-22(15-13-20)27-24(29)19-31-23-10-5-2-6-11-23/h1-6,8-15H,7,16-19,26H2,(H,27,29)