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

Systemtic Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-methylbutanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-methylbutanoylamino)-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-methyl-1-oxobutyl)amino]benzamide IUPAC Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-methylbutanoylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(isovalerylamino)-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)CC(C)C)N2CCC3=CC=CC=C3C2

Isomeric SMILES

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

InChI

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