4-bromanyl-1-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]indole-2,3-dione

Systemtic Name: 4-bromanyl-1-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]indole-2,3-dione Openeye Name: 4-bromo-1-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]indoline-2,3-dione CAS Name: 4-bromo-1-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]indole-2,3-dione IUPAC Name: 4-bromo-1-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]indole-2,3-dione Traditional Name: 4-bromo-1-[[4-(2,3-dimethylphenyl)piperazino]methyl]isatin Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CN3C4=C(C(=CC=C4)Br)C(=O)C3=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CN3C4=C(C(=CC=C4)Br)C(=O)C3=O)C

InChI

InChI=1S/C21H22BrN3O2/c1-14-5-3-7-17(15(14)2)24-11-9-23(10-12-24)13-25-18-8-4-6-16(22)19(18)20(26)21(25)27/h3-8H,9-13H2,1-2H3