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

Systemtic Name: 5-bromanyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 5-bromo-2-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 5-bromo-2-[2-[4-(3-methylphenyl)-1-piperazinyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 5-bromo-2-[2-keto-2-[4-(m-tolyl)piperazino]ethyl]isoindoline-1,3-quinone Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O3/c1-14-3-2-4-16(11-14)23-7-9-24(10-8-23)19(26)13-25-20(27)17-6-5-15(22)12-18(17)21(25)28/h2-6,11-12H,7-10,13H2,1H3