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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-5-(3,5,5-trimethylhexanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isobutyl-5-(3,5,5-trimethylhexanoylamino)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-5-[(3,5,5-trimethyl-1-oxohexyl)amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-5-(3,5,5-trimethylhexanoylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isobutyl-5-(3,5,5-trimethylhexanoylamino)benzamide Formula: C29H41N3O2 MolecularWeight: 463.65474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H41N3O2/c1-20(2)18-30-28(34)25-16-24(31-27(33)15-21(3)17-29(4,5)6)11-12-26(25)32-14-13-22-9-7-8-10-23(22)19-32/h7-12,16,20-21H,13-15,17-19H2,1-6H3,(H,30,34)(H,31,33)