6-chloranyl-1-cyclopropyl-8-fluoranyl-7-[3-(4-hydroxyphenyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-1-cyclopropyl-8-fluoranyl-7-[3-(4-hydroxyphenyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-chloro-1-cyclopropyl-8-fluoro-7-[3-(4-hydroxyphenyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-chloro-1-cyclopropyl-8-fluoro-7-[3-(4-hydroxyphenyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-1-cyclopropyl-8-fluoro-7-[3-(4-hydroxyphenyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-chloro-1-cyclopropyl-8-fluoro-7-[3-(4-hydroxyphenyl)piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C23H21ClFN3O4 MolecularWeight: 457.881943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCNC(C4)C5=CC=C(C=C5)O)Cl)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCNC(C4)C5=CC=C(C=C5)O)Cl)C(=O)O

InChI

InChI=1S/C23H21ClFN3O4/c24-17-9-15-20(28(13-3-4-13)10-16(22(15)30)23(31)32)19(25)21(17)27-8-7-26-18(11-27)12-1-5-14(29)6-2-12/h1-2,5-6,9-10,13,18,26,29H,3-4,7-8,11H2,(H,31,32)