8-chloranyl-6-fluoranyl-1-(2-methylcyclopropyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-6-fluoranyl-1-(2-methylcyclopropyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-chloro-6-fluoro-1-(2-methylcyclopropyl)-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-6-fluoro-1-(2-methylcyclopropyl)-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-6-fluoro-1-(2-methylcyclopropyl)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-chloro-6-fluoro-4-keto-1-(2-methylcyclopropyl)-7-(3-methylpiperazino)quinoline-3-carboxylic acid Formula: C19H21ClFN3O3 MolecularWeight: 393.839743

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCNC(C4)C)F)C(=O)O

Isomeric SMILES

CC1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCNC(C4)C)F)C(=O)O

InChI

InChI=1S/C19H21ClFN3O3/c1-9-5-14(9)24-8-12(19(26)27)18(25)11-6-13(21)17(15(20)16(11)24)23-4-3-22-10(2)7-23/h6,8-10,14,22H,3-5,7H2,1-2H3,(H,26,27)