3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloranyl-1-(4-methylphenyl)pyrrole-2,5-dione

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloranyl-1-(4-methylphenyl)pyrrole-2,5-dione Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloro-1-(p-tolyl)pyrrole-2,5-dione CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-chloro-1-(4-methylphenyl)pyrrole-2,5-dione IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloro-1-(4-methylphenyl)pyrrole-2,5-dione Traditional Name: 3-chloro-4-(4-piperonylpiperazino)-1-(p-tolyl)-3-pyrroline-2,5-quinone Formula: C23H22ClN3O4 MolecularWeight: 439.89148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22ClN3O4/c1-15-2-5-17(6-3-15)27-22(28)20(24)21(23(27)29)26-10-8-25(9-11-26)13-16-4-7-18-19(12-16)31-14-30-18/h2-7,12H,8-11,13-14H2,1H3