1-cyclopropyl-6,8-bis(fluoranyl)-7-(3-methyl-3-pyrrol-1-yl-azetidin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-7-(3-methyl-3-pyrrol-1-yl-azetidin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-7-(3-methyl-3-pyrrol-1-yl-azetidin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-7-[3-methyl-3-(1-pyrrolyl)-1-azetidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-7-(3-methyl-3-pyrrol-1-ylazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-(3-methyl-3-pyrrol-1-yl-azetidin-1-yl)quinoline-3-carboxylic acid Formula: C21H19F2N3O3 MolecularWeight: 399.390666

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F)N5C=CC=C5

Isomeric SMILES

CC1(CN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F)N5C=CC=C5

InChI

InChI=1S/C21H19F2N3O3/c1-21(25-6-2-3-7-25)10-24(11-21)18-15(22)8-13-17(16(18)23)26(12-4-5-12)9-14(19(13)27)20(28)29/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,28,29)