2-(1,3-benzodioxol-5-yl)-5,6-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-3H-isoindol-1-one

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5,6-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-3H-isoindol-1-one Openeye Name: 2-(1,3-benzodioxol-5-yl)-5,6-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]isoindolin-1-one CAS Name: 2-(1,3-benzodioxol-5-yl)-5,6-dimethyl-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3H-isoindol-1-one IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5,6-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3H-isoindol-1-one Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-[2-keto-2-(4-methylpiperazino)ethyl]-5,6-dimethyl-isoindolin-1-one Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(N(C2=O)C3=CC4=C(C=C3)OCO4)CC(=O)N5CCN(CC5)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(N(C2=O)C3=CC4=C(C=C3)OCO4)CC(=O)N5CCN(CC5)C)C

InChI

InChI=1S/C24H27N3O4/c1-15-10-18-19(11-16(15)2)24(29)27(17-4-5-21-22(12-17)31-14-30-21)20(18)13-23(28)26-8-6-25(3)7-9-26/h4-5,10-12,20H,6-9,13-14H2,1-3H3