1-[7-(3-azanylpyrrolidin-1-yl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]butane-1,3-dione hydrochloride

Systemtic Name: 1-[7-(3-azanylpyrrolidin-1-yl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]butane-1,3-dione hydrochloride Openeye Name: 1-[7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolyl]butane-1,3-dione hydrochloride CAS Name: 1-[7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinyl]butane-1,3-dione hydrochloride IUPAC Name: 1-[7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl]butane-1,3-dione hydrochloride Traditional Name: 1-[7-(3-aminopyrrolidino)-8-chloro-1-cyclopropyl-6-fluoro-4-keto-3-quinolyl]butane-1,3-dione hydrochloride Formula: C20H22Cl2FN3O3 MolecularWeight: 442.311383

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCC(C3)N)Cl)C4CC4.Cl

Isomeric SMILES

CC(=O)CC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCC(C3)N)Cl)C4CC4.Cl

InChI

InChI=1S/C20H21ClFN3O3.ClH/c1-10(26)6-16(27)14-9-25(12-2-3-12)18-13(20(14)28)7-15(22)19(17(18)21)24-5-4-11(23)8-24;/h7,9,11-12H,2-6,8,23H2,1H3;1H