2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-5-methyl-isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-5-methyl-isoindole-1,3-dione Openeye Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-butyl]-5-methyl-isoindoline-1,3-dione CAS Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-oxobutyl]-5-methylisoindole-1,3-dione IUPAC Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxobutyl]-5-methylisoindole-1,3-dione Traditional Name: 2-[4-keto-4-(4-piperonylpiperazino)butyl]-5-methyl-isoindoline-1,3-quinone Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27N3O5/c1-17-4-6-19-20(13-17)25(31)28(24(19)30)8-2-3-23(29)27-11-9-26(10-12-27)15-18-5-7-21-22(14-18)33-16-32-21/h4-7,13-14H,2-3,8-12,15-16H2,1H3