N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methylpropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methylpropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(isobutylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methylpropylamino)-oxomethyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methylpropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(isobutylcarbamoyl)phenyl]-piperonylamide Formula: C28H29N3O4 MolecularWeight: 471.54756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H29N3O4/c1-18(2)15-29-28(33)23-14-22(30-27(32)20-7-10-25-26(13-20)35-17-34-25)8-9-24(23)31-12-11-19-5-3-4-6-21(19)16-31/h3-10,13-14,18H,11-12,15-17H2,1-2H3,(H,29,33)(H,30,32)