2-[4-fluoranyl-3-(trifluoromethyl)phenyl]-N-(6-methyl-1-oxidanylidene-2-pyrrolidin-3-yl-isoquinolin-5-yl)ethanamide

Systemtic Name: 2-[4-fluoranyl-3-(trifluoromethyl)phenyl]-N-(6-methyl-1-oxidanylidene-2-pyrrolidin-3-yl-isoquinolin-5-yl)ethanamide Openeye Name: 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(6-methyl-1-oxo-2-pyrrolidin-3-yl-5-isoquinolyl)acetamide CAS Name: 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[6-methyl-1-oxo-2-(3-pyrrolidinyl)-5-isoquinolinyl]acetamide IUPAC Name: 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(6-methyl-1-oxo-2-pyrrolidin-3-ylisoquinolin-5-yl)acetamide Traditional Name: 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1-keto-6-methyl-2-pyrrolidin-3-yl-5-isoquinolyl)acetamide Formula: C23H21F4N3O2 MolecularWeight: 447.425353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N(C=C2)C3CCNC3)NC(=O)CC4=CC(=C(C=C4)F)C(F)(F)F

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N(C=C2)C3CCNC3)NC(=O)CC4=CC(=C(C=C4)F)C(F)(F)F

InChI

InChI=1S/C23H21F4N3O2/c1-13-2-4-17-16(7-9-30(22(17)32)15-6-8-28-12-15)21(13)29-20(31)11-14-3-5-19(24)18(10-14)23(25,26)27/h2-5,7,9-10,15,28H,6,8,11-12H2,1H3,(H,29,31)