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

Systemtic Name: 5-bromanyl-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 5-bromo-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 5-bromo-2-[3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-oxopropyl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione Traditional Name: 5-bromo-2-[3-[4-(2,3-dimethylphenyl)piperazino]-3-keto-propyl]isoindoline-1,3-quinone Formula: C23H24BrN3O3 MolecularWeight: 470.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br)C

InChI

InChI=1S/C23H24BrN3O3/c1-15-4-3-5-20(16(15)2)25-10-12-26(13-11-25)21(28)8-9-27-22(29)18-7-6-17(24)14-19(18)23(27)30/h3-7,14H,8-13H2,1-2H3