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

Systemtic Name: 2-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-5-methyl-isoindole-1,3-dione Openeye Name: 2-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxo-butyl]-5-methyl-isoindoline-1,3-dione CAS Name: 2-[4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4-oxobutyl]-5-methylisoindole-1,3-dione IUPAC Name: 2-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxobutyl]-5-methylisoindole-1,3-dione Traditional Name: 2-[4-[4-(2,3-dimethylphenyl)piperazino]-4-keto-butyl]-5-methyl-isoindoline-1,3-quinone Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)N3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C25H29N3O3/c1-17-9-10-20-21(16-17)25(31)28(24(20)30)11-5-8-23(29)27-14-12-26(13-15-27)22-7-4-6-18(2)19(22)3/h4,6-7,9-10,16H,5,8,11-15H2,1-3H3