1-cyclopropyl-6,8-bis(fluoranyl)-7-[3-(2-methylpropyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-7-[3-(2-methylpropyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-7-(3-isobutylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-7-[3-(2-methylpropyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-7-[3-(2-methylpropyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-7-(3-isobutylpiperazino)-4-keto-quinoline-3-carboxylic acid Formula: C21H25F2N3O3 MolecularWeight: 405.438306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(CCN1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC(C)CC1CN(CCN1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C21H25F2N3O3/c1-11(2)7-12-9-25(6-5-24-12)19-16(22)8-14-18(17(19)23)26(13-3-4-13)10-15(20(14)27)21(28)29/h8,10-13,24H,3-7,9H2,1-2H3,(H,28,29)