1-cyclopropyl-5-ethyl-6,8-bis(fluoranyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-5-ethyl-6,8-bis(fluoranyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-5-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-5-ethyl-6,8-difluoro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-5-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-5-ethyl-6,8-difluoro-4-keto-7-(3-methylpiperazino)quinoline-3-carboxylic acid Formula: C20H23F2N3O3 MolecularWeight: 391.411726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=C(C(=C1F)N3CCNC(C3)C)F)N(C=C(C2=O)C(=O)O)C4CC4

Isomeric SMILES

CCC1=C2C(=C(C(=C1F)N3CCNC(C3)C)F)N(C=C(C2=O)C(=O)O)C4CC4

InChI

InChI=1S/C20H23F2N3O3/c1-3-12-14-17(25(11-4-5-11)9-13(19(14)26)20(27)28)16(22)18(15(12)21)24-7-6-23-10(2)8-24/h9-11,23H,3-8H2,1-2H3,(H,27,28)