7-chloranyl-1-(4-fluorophenyl)-4-oxidanylidene-6-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 7-chloranyl-1-(4-fluorophenyl)-4-oxidanylidene-6-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 7-chloro-1-(4-fluorophenyl)-4-oxo-6-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 7-chloro-1-(4-fluorophenyl)-4-oxo-6-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 7-chloro-1-(4-fluorophenyl)-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 7-chloro-1-(4-fluorophenyl)-4-keto-6-piperazino-quinoline-3-carboxylic acid Formula: C20H17ClFN3O3 MolecularWeight: 401.818683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)C(=O)C(=CN3C4=CC=C(C=C4)F)C(=O)O)Cl

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)C(=O)C(=CN3C4=CC=C(C=C4)F)C(=O)O)Cl

InChI

InChI=1S/C20H17ClFN3O3/c21-16-10-17-14(9-18(16)24-7-5-23-6-8-24)19(26)15(20(27)28)11-25(17)13-3-1-12(22)2-4-13/h1-4,9-11,23H,5-8H2,(H,27,28)