6-azanyl-1-(4-fluorophenyl)-8-methyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-1-(4-fluorophenyl)-8-methyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-amino-1-(4-fluorophenyl)-8-methyl-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-amino-1-(4-fluorophenyl)-8-methyl-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-(4-fluorophenyl)-8-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-amino-1-(4-fluorophenyl)-4-keto-8-methyl-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C22H23FN4O3 MolecularWeight: 410.441423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCN(CC3)C)N)C(=O)C(=CN2C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCN(CC3)C)N)C(=O)C(=CN2C4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C22H23FN4O3/c1-13-19-16(11-18(24)20(13)26-9-7-25(2)8-10-26)21(28)17(22(29)30)12-27(19)15-5-3-14(23)4-6-15/h3-6,11-12H,7-10,24H2,1-2H3,(H,29,30)