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

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[3-(propylamino)azepan-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-[3-(propylamino)azepan-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-[3-(propylamino)-1-azepanyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-[3-(propylamino)azepan-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-[3-(propylamino)azepan-1-yl]quinoline-3-carboxylic acid Formula: C22H27F2N3O3 MolecularWeight: 419.464886

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1CCCCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CCCNC1CCCCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C22H27F2N3O3/c1-2-8-25-13-5-3-4-9-26(11-13)20-17(23)10-15-19(18(20)24)27(14-6-7-14)12-16(21(15)28)22(29)30/h10,12-14,25H,2-9,11H2,1H3,(H,29,30)