ethyl 7-(cyclohexylamino)-6-fluoranyl-1-[2-(methylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 7-(cyclohexylamino)-6-fluoranyl-1-[2-(methylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-(cyclohexylamino)-6-fluoro-1-[2-(methylamino)-2-oxo-ethyl]-4-oxo-quinoline-3-carboxylate CAS Name: 7-(cyclohexylamino)-6-fluoro-1-[2-(methylamino)-2-oxoethyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(cyclohexylamino)-6-fluoro-1-[2-(methylamino)-2-oxoethyl]-4-oxoquinoline-3-carboxylate Traditional Name: 7-(cyclohexylamino)-6-fluoro-4-keto-1-[2-keto-2-(methylamino)ethyl]quinoline-3-carboxylic acid ethyl ester Formula: C21H26FN3O4 MolecularWeight: 403.447243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O4/c1-3-29-21(28)15-11-25(12-19(26)23-2)18-10-17(16(22)9-14(18)20(15)27)24-13-7-5-4-6-8-13/h9-11,13,24H,3-8,12H2,1-2H3,(H,23,26)