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

Systemtic Name: 5-bromanyl-2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 5-bromo-2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 5-bromo-2-[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 5-bromo-2-[2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)Br)C

InChI

InChI=1S/C22H22BrN3O3/c1-14-4-3-5-19(15(14)2)24-8-10-25(11-9-24)20(27)13-26-21(28)17-7-6-16(23)12-18(17)22(26)29/h3-7,12H,8-11,13H2,1-2H3