6-azanyl-7-[4-(2-fluorophenyl)piperazin-1-yl]-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-7-[4-(2-fluorophenyl)piperazin-1-yl]-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-amino-7-[4-(2-fluorophenyl)piperazin-1-yl]-1-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-amino-7-[4-(2-fluorophenyl)-1-piperazinyl]-1-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-amino-7-[4-(2-fluorophenyl)piperazin-1-yl]-1-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-amino-7-[4-(2-fluorophenyl)piperazino]-4-keto-1-methyl-quinoline-3-carboxylic acid Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=C4F)N)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=C4F)N)C(=O)O

InChI

InChI=1S/C21H21FN4O3/c1-24-12-14(21(28)29)20(27)13-10-16(23)19(11-18(13)24)26-8-6-25(7-9-26)17-5-3-2-4-15(17)22/h2-5,10-12H,6-9,23H2,1H3,(H,28,29)