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

Systemtic Name: 3-[7-(3-azanylpyrrolidin-1-yl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]-3-oxidanylidene-propanenitrile hydrochloride Openeye Name: 3-[7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolyl]-3-oxo-propanenitrile hydrochloride CAS Name: 3-[7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinyl]-3-oxopropanenitrile hydrochloride IUPAC Name: 3-[7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl]-3-oxopropanenitrile hydrochloride Traditional Name: 3-[7-(3-aminopyrrolidino)-8-chloro-1-cyclopropyl-6-fluoro-4-keto-3-quinolyl]-3-keto-propionitrile hydrochloride Formula: C19H19Cl2FN4O2 MolecularWeight: 425.284163

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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)CC#N.Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClFN4O2.ClH/c20-16-17-12(7-14(21)18(16)24-6-4-10(23)8-24)19(27)13(15(26)3-5-22)9-25(17)11-1-2-11;/h7,9-11H,1-4,6,8,23H2;1H