4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisoquinolin-1-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 3-(1H-indol-3-yl)-2-methyl-4-(4-piperonylpiperazine-1-carbonyl)-3,4-dihydroisocarbostyril Formula: C31H30N4O4 MolecularWeight: 522.5943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CNC7=CC=CC=C76

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CNC7=CC=CC=C76

InChI

InChI=1S/C31H30N4O4/c1-33-29(24-17-32-25-9-5-4-6-21(24)25)28(22-7-2-3-8-23(22)30(33)36)31(37)35-14-12-34(13-15-35)18-20-10-11-26-27(16-20)39-19-38-26/h2-11,16-17,28-29,32H,12-15,18-19H2,1H3