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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2,9-dimethyl-pyrido[3,4-b]indol-1-one Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2,9-dimethyl-pyrido[3,4-b]indol-1-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2,9-dimethyl-1-pyrido[3,4-b]indolone IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one Traditional Name: 2,9-dimethyl-4-(4-piperonylpiperazine-1-carbonyl)-$b-carbolin-1-one Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C(C1=O)N(C3=CC=CC=C32)C)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CN1C=C(C2=C(C1=O)N(C3=CC=CC=C32)C)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H26N4O4/c1-27-15-19(23-18-5-3-4-6-20(18)28(2)24(23)26(27)32)25(31)30-11-9-29(10-12-30)14-17-7-8-21-22(13-17)34-16-33-21/h3-8,13,15H,9-12,14,16H2,1-2H3