methyl 8-chloranyl-1-cyclopropyl-7-[3-(dimethylamino)-4-oxidanylidene-azepan-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: methyl 8-chloranyl-1-cyclopropyl-7-[3-(dimethylamino)-4-oxidanylidene-azepan-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: methyl 8-chloro-1-cyclopropyl-7-[3-(dimethylamino)-4-oxo-azepan-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 8-chloro-1-cyclopropyl-7-[3-(dimethylamino)-4-oxo-1-azepanyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 8-chloro-1-cyclopropyl-7-[3-(dimethylamino)-4-oxoazepan-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 8-chloro-1-cyclopropyl-7-[3-(dimethylamino)-4-keto-azepan-1-yl]-6-fluoro-4-keto-quinoline-3-carboxylic acid methyl ester Formula: C22H25ClFN3O4 MolecularWeight: 449.903003

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CN(CCCC1=O)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)OC)C4CC4)F

Isomeric SMILES

CN(C)C1CN(CCCC1=O)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)OC)C4CC4)F

InChI

InChI=1S/C22H25ClFN3O4/c1-25(2)16-11-26(8-4-5-17(16)28)20-15(24)9-13-19(18(20)23)27(12-6-7-12)10-14(21(13)29)22(30)31-3/h9-10,12,16H,4-8,11H2,1-3H3