N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-phenoxyethanoylamino)benzamide

Systemtic Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-phenoxyethanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-phenoxyacetyl)amino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(1-oxo-2-phenoxyethyl)amino]benzamide IUPAC Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-phenoxyacetyl)amino]benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-phenoxyacetyl)amino]-N-sec-butyl-benzamide Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)COC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)COC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C28H31N3O3/c1-3-20(2)29-28(33)25-17-23(30-27(32)19-34-24-11-5-4-6-12-24)13-14-26(25)31-16-15-21-9-7-8-10-22(21)18-31/h4-14,17,20H,3,15-16,18-19H2,1-2H3,(H,29,33)(H,30,32)