[2-[3,4-bis(fluoranyl)phenyl]-2-(hydroxymethyl)pyrrolidin-1-yl]-(6-fluoranylquinolin-4-yl)methanone

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-(hydroxymethyl)pyrrolidin-1-yl]-(6-fluoranylquinolin-4-yl)methanone Openeye Name: [2-(3,4-difluorophenyl)-2-(hydroxymethyl)pyrrolidin-1-yl]-(6-fluoro-4-quinolyl)methanone CAS Name: [2-(3,4-difluorophenyl)-2-(hydroxymethyl)-1-pyrrolidinyl]-(6-fluoro-4-quinolinyl)methanone IUPAC Name: [2-(3,4-difluorophenyl)-2-(hydroxymethyl)pyrrolidin-1-yl]-(6-fluoroquinolin-4-yl)methanone Traditional Name: [2-(3,4-difluorophenyl)-2-methylol-pyrrolidino]-(6-fluoro-4-quinolyl)methanone Formula: C21H17F3N2O2 MolecularWeight: 386.36709

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=C3C=C(C=CC3=NC=C2)F)(CO)C4=CC(=C(C=C4)F)F

Isomeric SMILES

C1CC(N(C1)C(=O)C2=C3C=C(C=CC3=NC=C2)F)(CO)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C21H17F3N2O2/c22-14-3-5-19-16(11-14)15(6-8-25-19)20(28)26-9-1-7-21(26,12-27)13-2-4-17(23)18(24)10-13/h2-6,8,10-11,27H,1,7,9,12H2