3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione Traditional Name: 1-(4-ethylphenyl)-3-(4-piperonylpiperazino)pyrrolidine-2,5-quinone Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H27N3O4/c1-2-17-3-6-19(7-4-17)27-23(28)14-20(24(27)29)26-11-9-25(10-12-26)15-18-5-8-21-22(13-18)31-16-30-21/h3-8,13,20H,2,9-12,14-16H2,1H3