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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O2/c1-6-17(2)26-23(29)21-15-20(27-24(30)25(3,4)5)11-12-22(21)28-14-13-18-9-7-8-10-19(18)16-28/h7-12,15,17H,6,13-14,16H2,1-5H3,(H,26,29)(H,27,30)