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

Systemtic Name: ethyl 3-[7-(3-azanylpyrrolidin-1-yl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]-2-cyano-3-oxidanylidene-propanoate hydrochloride Openeye Name: ethyl 3-[7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolyl]-2-cyano-3-oxo-propanoate hydrochloride CAS Name: 3-[7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinyl]-2-cyano-3-oxopropanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-[7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl]-2-cyano-3-oxopropanoate hydrochloride Traditional Name: 3-[7-(3-aminopyrrolidino)-8-chloro-1-cyclopropyl-6-fluoro-4-keto-3-quinolyl]-2-cyano-3-keto-propionic acid ethyl ester hydrochloride Formula: C22H23Cl2FN4O4 MolecularWeight: 497.346823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClFN4O4.ClH/c1-2-32-22(31)14(8-25)21(30)15-10-28(12-3-4-12)18-13(20(15)29)7-16(24)19(17(18)23)27-6-5-11(26)9-27;/h7,10-12,14H,2-6,9,26H2,1H3;1H