2-(5-chloranyl-6-fluoranyl-1H-benzimidazol-2-yl)-5,5-dimethyl-2-(4-methylpiperazin-1-yl)cyclohexane-1,3-dione

Systemtic Name: 2-(5-chloranyl-6-fluoranyl-1H-benzimidazol-2-yl)-5,5-dimethyl-2-(4-methylpiperazin-1-yl)cyclohexane-1,3-dione Openeye Name: 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5,5-dimethyl-2-(4-methylpiperazin-1-yl)cyclohexane-1,3-dione CAS Name: 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5,5-dimethyl-2-(4-methyl-1-piperazinyl)cyclohexane-1,3-dione IUPAC Name: 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5,5-dimethyl-2-(4-methylpiperazin-1-yl)cyclohexane-1,3-dione Traditional Name: 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5,5-dimethyl-2-(4-methylpiperazino)cyclohexane-1,3-quinone Formula: C20H24ClFN4O2 MolecularWeight: 406.881563

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)(C2=NC3=CC(=C(C=C3N2)F)Cl)N4CCN(CC4)C)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)(C2=NC3=CC(=C(C=C3N2)F)Cl)N4CCN(CC4)C)C

InChI

InChI=1S/C20H24ClFN4O2/c1-19(2)10-16(27)20(17(28)11-19,26-6-4-25(3)5-7-26)18-23-14-8-12(21)13(22)9-15(14)24-18/h8-9H,4-7,10-11H2,1-3H3,(H,23,24)