1-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione

Systemtic Name: 1-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Openeye Name: 1-[4-(5-chloro-2-fluoro-benzoyl)piperazin-1-yl]-4-(5-methyl-2-thienyl)butane-1,4-dione CAS Name: 1-[4-[(5-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-4-(5-methyl-2-thiophenyl)butane-1,4-dione IUPAC Name: 1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Traditional Name: 1-[4-(5-chloro-2-fluoro-benzoyl)piperazino]-4-(5-methyl-2-thienyl)butane-1,4-dione Formula: C20H20ClFN2O3S MolecularWeight: 422.900803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)F

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)F

InChI

InChI=1S/C20H20ClFN2O3S/c1-13-2-6-18(28-13)17(25)5-7-19(26)23-8-10-24(11-9-23)20(27)15-12-14(21)3-4-16(15)22/h2-4,6,12H,5,7-11H2,1H3