ethyl 7-(cyclohexylamino)-6-fluoranyl-1-(1-methylazetidin-3-yl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 7-(cyclohexylamino)-6-fluoranyl-1-(1-methylazetidin-3-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-(cyclohexylamino)-6-fluoro-1-(1-methylazetidin-3-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 7-(cyclohexylamino)-6-fluoro-1-(1-methyl-3-azetidinyl)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(cyclohexylamino)-6-fluoro-1-(1-methylazetidin-3-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 7-(cyclohexylamino)-6-fluoro-4-keto-1-(1-methylazetidin-3-yl)quinoline-3-carboxylic acid ethyl ester Formula: C22H28FN3O3 MolecularWeight: 401.474423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)NC3CCCCC3)C4CN(C4)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)NC3CCCCC3)C4CN(C4)C

InChI

InChI=1S/C22H28FN3O3/c1-3-29-22(28)17-13-26(15-11-25(2)12-15)20-10-19(18(23)9-16(20)21(17)27)24-14-7-5-4-6-8-14/h9-10,13-15,24H,3-8,11-12H2,1-2H3