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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H41N3O2/c1-7-21(3)30-28(34)25-17-24(31-27(33)16-20(2)18-29(4,5)6)12-13-26(25)32-15-14-22-10-8-9-11-23(22)19-32/h8-13,17,20-21H,7,14-16,18-19H2,1-6H3,(H,30,34)(H,31,33)