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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-5-(pentanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isobutyl-5-(pentanoylamino)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-5-(1-oxopentylamino)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-5-(pentanoylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isobutyl-5-(valerylamino)benzamide Formula: C25H33N3O2 MolecularWeight: 407.54842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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