3-[7-(3-azanylpyrrolidin-1-yl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylpentane-2,4-dione

Systemtic Name: 3-[7-(3-azanylpyrrolidin-1-yl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylpentane-2,4-dione Openeye Name: 3-[7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carbonyl]pentane-2,4-dione CAS Name: 3-[[7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinyl]-oxomethyl]pentane-2,4-dione IUPAC Name: 3-[7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl]pentane-2,4-dione Traditional Name: 3-[7-(3-aminopyrrolidino)-8-chloro-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carbonyl]pentane-2,4-dione Formula: C22H23ClFN3O4 MolecularWeight: 447.887123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClFN3O4/c1-10(28)17(11(2)29)22(31)15-9-27(13-3-4-13)19-14(21(15)30)7-16(24)20(18(19)23)26-6-5-12(25)8-26/h7,9,12-13,17H,3-6,8,25H2,1-2H3