4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-cyclopentyl-9-methyl-pyrido[3,4-b]indol-1-one

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-cyclopentyl-9-methyl-pyrido[3,4-b]indol-1-one Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-cyclopentyl-9-methyl-pyrido[3,4-b]indol-1-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-cyclopentyl-9-methyl-1-pyrido[3,4-b]indolone IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-cyclopentyl-9-methylpyrido[3,4-b]indol-1-one Traditional Name: 2-cyclopentyl-9-methyl-4-(4-piperonylpiperazine-1-carbonyl)-$b-carbolin-1-one Formula: C30H32N4O4 MolecularWeight: 512.59948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1C(=O)N(C=C3C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)C7CCCC7

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1C(=O)N(C=C3C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)C7CCCC7

InChI

InChI=1S/C30H32N4O4/c1-31-24-9-5-4-8-22(24)27-23(18-34(30(36)28(27)31)21-6-2-3-7-21)29(35)33-14-12-32(13-15-33)17-20-10-11-25-26(16-20)38-19-37-25/h4-5,8-11,16,18,21H,2-3,6-7,12-15,17,19H2,1H3