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

Systemtic Name: N-(3-azanylpropyl)-3,4-dimethoxy-N-[[3-(2-phenylethanoylamino)phenyl]methyl]benzamide Openeye Name: N-(3-aminopropyl)-3,4-dimethoxy-N-[[3-[(2-phenylacetyl)amino]phenyl]methyl]benzamide CAS Name: N-(3-aminopropyl)-3,4-dimethoxy-N-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]methyl]benzamide IUPAC Name: N-(3-aminopropyl)-3,4-dimethoxy-N-[[3-[(2-phenylacetyl)amino]phenyl]methyl]benzamide Traditional Name: N-(3-aminopropyl)-3,4-dimethoxy-N-[3-[(2-phenylacetyl)amino]benzyl]benzamide Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N(CCCN)CC2=CC(=CC=C2)NC(=O)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N(CCCN)CC2=CC(=CC=C2)NC(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C27H31N3O4/c1-33-24-13-12-22(18-25(24)34-2)27(32)30(15-7-14-28)19-21-10-6-11-23(16-21)29-26(31)17-20-8-4-3-5-9-20/h3-6,8-13,16,18H,7,14-15,17,19,28H2,1-2H3,(H,29,31)