2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2,2-dimethylpropanoylamino)-N-(2-methylpropyl)benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2,2-dimethylpropanoylamino)-N-(2-methylpropyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2,2-dimethylpropanoylamino)-N-isobutyl-benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2,2-dimethyl-1-oxopropyl)amino]-N-(2-methylpropyl)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2,2-dimethylpropanoylamino)-N-(2-methylpropyl)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isobutyl-5-(pivaloylamino)benzamide Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)(C)C)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)(C)C)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C25H33N3O2/c1-17(2)15-26-23(29)21-14-20(27-24(30)25(3,4)5)10-11-22(21)28-13-12-18-8-6-7-9-19(18)16-28/h6-11,14,17H,12-13,15-16H2,1-5H3,(H,26,29)(H,27,30)