1-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-5-methyl-indole-2,3-dione

Systemtic Name: 1-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-5-methyl-indole-2,3-dione Openeye Name: 1-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-5-methyl-indoline-2,3-dione CAS Name: 1-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-5-methylindole-2,3-dione IUPAC Name: 1-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-methylindole-2,3-dione Traditional Name: 1-[[4-(5-chloro-2-methyl-phenyl)piperazino]methyl]-5-methyl-isatin Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C2=O)CN3CCN(CC3)C4=C(C=CC(=C4)Cl)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=O)CN3CCN(CC3)C4=C(C=CC(=C4)Cl)C

InChI

InChI=1S/C21H22ClN3O2/c1-14-3-6-18-17(11-14)20(26)21(27)25(18)13-23-7-9-24(10-8-23)19-12-16(22)5-4-15(19)2/h3-6,11-12H,7-10,13H2,1-2H3