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

Systemtic Name: 6-fluoranyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-1-propan-2-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-isopropyl-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-7-(3-methyl-1-piperazinyl)-4-oxo-1-propan-2-yl-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-isopropyl-4-keto-7-(3-methylpiperazino)quinoline-3-carboxylic acid Formula: C18H22FN3O3 MolecularWeight: 347.383983

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C(C)C)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C(C)C)F

InChI

InChI=1S/C18H22FN3O3/c1-10(2)22-9-13(18(24)25)17(23)12-6-14(19)16(7-15(12)22)21-5-4-20-11(3)8-21/h6-7,9-11,20H,4-5,8H2,1-3H3,(H,24,25)