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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-methylbutanoylamino)-N-(2-methylpropyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isobutyl-5-(3-methylbutanoylamino)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-methyl-1-oxobutyl)amino]-N-(2-methylpropyl)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-methylbutanoylamino)-N-(2-methylpropyl)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isobutyl-5-(isovalerylamino)benzamide Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCC(C)C

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCC(C)C

InChI

InChI=1S/C25H33N3O2/c1-17(2)13-24(29)27-21-9-10-23(22(14-21)25(30)26-15-18(3)4)28-12-11-19-7-5-6-8-20(19)16-28/h5-10,14,17-18H,11-13,15-16H2,1-4H3,(H,26,30)(H,27,29)