N-[(2R)-butan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(pentanoylamino)benzamide

Systemtic Name: N-[(2R)-butan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(pentanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R)-1-methylpropyl]-5-(pentanoylamino)benzamide CAS Name: N-[(2R)-butan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxopentylamino)benzamide IUPAC Name: N-[(2R)-butan-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(pentanoylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R)-1-methylpropyl]-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)NC(C)CC

Isomeric SMILES

CCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)N[C@H](C)CC

InChI

InChI=1S/C25H33N3O2/c1-4-6-11-24(29)27-21-12-13-23(22(16-21)25(30)26-18(3)5-2)28-15-14-19-9-7-8-10-20(19)17-28/h7-10,12-13,16,18H,4-6,11,14-15,17H2,1-3H3,(H,26,30)(H,27,29)/t18-/m1/s1