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

Systemtic Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-phenylethanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-phenylacetyl)amino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(1-oxo-2-phenylethyl)amino]benzamide IUPAC Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-phenylacetyl)amino]benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-phenylacetyl)amino]-N-sec-butyl-benzamide Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C28H31N3O2/c1-3-20(2)29-28(33)25-18-24(30-27(32)17-21-9-5-4-6-10-21)13-14-26(25)31-16-15-22-11-7-8-12-23(22)19-31/h4-14,18,20H,3,15-17,19H2,1-2H3,(H,29,33)(H,30,32)