N-(2-azanylethyl)-4-[[methyl(phenethyl)amino]methyl]-3-(2-phenoxyethanoylamino)benzamide

Systemtic Name: N-(2-azanylethyl)-4-[[methyl(phenethyl)amino]methyl]-3-(2-phenoxyethanoylamino)benzamide Openeye Name: N-(2-aminoethyl)-4-[[methyl(phenethyl)amino]methyl]-3-[(2-phenoxyacetyl)amino]benzamide CAS Name: N-(2-aminoethyl)-4-[[methyl(phenethyl)amino]methyl]-3-[(1-oxo-2-phenoxyethyl)amino]benzamide IUPAC Name: N-(2-aminoethyl)-4-[[methyl(phenethyl)amino]methyl]-3-[(2-phenoxyacetyl)amino]benzamide Traditional Name: N-(2-aminoethyl)-4-[[methyl(phenethyl)amino]methyl]-3-[(2-phenoxyacetyl)amino]benzamide Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)CC2=C(C=C(C=C2)C(=O)NCCN)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CN(CCC1=CC=CC=C1)CC2=C(C=C(C=C2)C(=O)NCCN)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C27H32N4O3/c1-31(17-14-21-8-4-2-5-9-21)19-23-13-12-22(27(33)29-16-15-28)18-25(23)30-26(32)20-34-24-10-6-3-7-11-24/h2-13,18H,14-17,19-20,28H2,1H3,(H,29,33)(H,30,32)