6-fluoranyl-1-(methylamino)-7-(4-methyl-1,4-diazepan-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid chloride

Systemtic Name: 6-fluoranyl-1-(methylamino)-7-(4-methyl-1,4-diazepan-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid chloride Openeye Name: 6-fluoro-1-(methylamino)-7-(4-methyl-1,4-diazepan-1-yl)-4-oxo-quinoline-3-carboxylic acid chloride CAS Name: 6-fluoro-1-(methylamino)-7-(4-methyl-1,4-diazepan-1-yl)-4-oxo-3-quinolinecarboxylic acid chloride IUPAC Name: 6-fluoro-1-(methylamino)-7-(4-methyl-1,4-diazepan-1-yl)-4-oxoquinoline-3-carboxylic acid chloride Traditional Name: 6-fluoro-4-keto-1-(methylamino)-7-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carboxylic acid chloride Formula: C17H21ClFN4O3- MolecularWeight: 383.825043

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Descriptors Computed from Structure

Canonical SMILES:

CNN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCN(CC3)C)F)C(=O)O.[Cl-]

Isomeric SMILES

CNN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCN(CC3)C)F)C(=O)O.[Cl-]

InChI

InChI=1S/C17H21FN4O3.ClH/c1-19-22-10-12(17(24)25)16(23)11-8-13(18)15(9-14(11)22)21-5-3-4-20(2)6-7-21;/h8-10,19H,3-7H2,1-2H3,(H,24,25);1H/p-1