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

Systemtic Name: methyl 7-(3-azanyl-4-oxidanylidene-azepan-1-yl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: methyl 7-(3-amino-4-oxo-azepan-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-(3-amino-4-oxo-1-azepanyl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 7-(3-amino-4-oxoazepan-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-(3-amino-4-keto-azepan-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid methyl ester Formula: C20H21ClFN3O4 MolecularWeight: 421.849843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCCC(=O)C(C3)N)Cl)C4CC4

Isomeric SMILES

COC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCCC(=O)C(C3)N)Cl)C4CC4

InChI

InChI=1S/C20H21ClFN3O4/c1-29-20(28)12-8-25(10-4-5-10)17-11(19(12)27)7-13(22)18(16(17)21)24-6-2-3-15(26)14(23)9-24/h7-8,10,14H,2-6,9,23H2,1H3