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

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-7-[3-methyl-4-(3-oxidanylpropyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-7-[4-(3-hydroxypropyl)-3-methyl-piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-7-[4-(3-hydroxypropyl)-3-methyl-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-7-[4-(3-hydroxypropyl)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-7-[4-(3-hydroxypropyl)-3-methyl-piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C21H25F2N3O4 MolecularWeight: 421.437706

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CCCO)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC1CN(CCN1CCCO)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C21H25F2N3O4/c1-12-10-25(7-6-24(12)5-2-8-27)19-16(22)9-14-18(17(19)23)26(13-3-4-13)11-15(20(14)28)21(29)30/h9,11-13,27H,2-8,10H2,1H3,(H,29,30)