1-cyclopropyl-6-fluoranyl-7-[3-(hydroxymethyl)piperazin-1-yl]-5-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[3-(hydroxymethyl)piperazin-1-yl]-5-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[3-(hydroxymethyl)piperazin-1-yl]-5-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[3-(hydroxymethyl)-1-piperazinyl]-5-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[3-(hydroxymethyl)piperazin-1-yl]-5-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-5-methyl-7-(3-methylolpiperazino)quinoline-3-carboxylic acid Formula: C19H22FN3O4 MolecularWeight: 375.394083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1F)N3CCNC(C3)CO)N(C=C(C2=O)C(=O)O)C4CC4

Isomeric SMILES

CC1=C2C(=CC(=C1F)N3CCNC(C3)CO)N(C=C(C2=O)C(=O)O)C4CC4

InChI

InChI=1S/C19H22FN3O4/c1-10-16-14(23(12-2-3-12)8-13(18(16)25)19(26)27)6-15(17(10)20)22-5-4-21-11(7-22)9-24/h6,8,11-12,21,24H,2-5,7,9H2,1H3,(H,26,27)