2-[7-(3-azanylpyrrolidin-1-yl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylpropanedinitrile hydrochloride

Systemtic Name: 2-[7-(3-azanylpyrrolidin-1-yl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylpropanedinitrile hydrochloride Openeye Name: 2-[7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carbonyl]propanedinitrile hydrochloride CAS Name: 2-[[7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinyl]-oxomethyl]propanedinitrile hydrochloride IUPAC Name: 2-[7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl]propanedinitrile hydrochloride Traditional Name: 2-[7-(3-aminopyrrolidino)-8-chloro-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carbonyl]malononitrile hydrochloride Formula: C20H18Cl2FN5O2 MolecularWeight: 450.293623

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCC(C4)N)F)C(=O)C(C#N)C#N.Cl

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCC(C4)N)F)C(=O)C(C#N)C#N.Cl

InChI

InChI=1S/C20H17ClFN5O2.ClH/c21-16-17-13(5-15(22)18(16)26-4-3-11(25)8-26)20(29)14(9-27(17)12-1-2-12)19(28)10(6-23)7-24;/h5,9-12H,1-4,8,25H2;1H