7-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[3-(2-chlorophenyl)-1-oxopropyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[3-(2-chlorophenyl)propanoyl]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H25ClFN3O4 MolecularWeight: 485.935103

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)CCC4=CC=CC=C4Cl)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)CCC4=CC=CC=C4Cl)F)C(=O)O

InChI

InChI=1S/C25H25ClFN3O4/c1-2-28-15-18(25(33)34)24(32)17-13-20(27)22(14-21(17)28)29-9-11-30(12-10-29)23(31)8-7-16-5-3-4-6-19(16)26/h3-6,13-15H,2,7-12H2,1H3,(H,33,34)