6,8-bis(fluoranyl)-1-(4-hydroxyphenyl)-5-methyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-1-(4-hydroxyphenyl)-5-methyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-1-(4-hydroxyphenyl)-5-methyl-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-1-(4-hydroxyphenyl)-5-methyl-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-1-(4-hydroxyphenyl)-5-methyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-1-(4-hydroxyphenyl)-4-keto-5-methyl-7-piperazino-quinoline-3-carboxylic acid Formula: C21H19F2N3O4 MolecularWeight: 415.390066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1F)N3CCNCC3)F)N(C=C(C2=O)C(=O)O)C4=CC=C(C=C4)O

Isomeric SMILES

CC1=C2C(=C(C(=C1F)N3CCNCC3)F)N(C=C(C2=O)C(=O)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H19F2N3O4/c1-11-15-18(17(23)19(16(11)22)25-8-6-24-7-9-25)26(10-14(20(15)28)21(29)30)12-2-4-13(27)5-3-12/h2-5,10,24,27H,6-9H2,1H3,(H,29,30)