3-methyl-4-oxidanylidene-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[2-pyrrolidino-5-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Formula: C21H19F3N4O2 MolecularWeight: 416.39637

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCCC4

InChI

InChI=1S/C21H19F3N4O2/c1-27-20(30)15-7-3-2-6-14(15)18(26-27)19(29)25-16-12-13(21(22,23)24)8-9-17(16)28-10-4-5-11-28/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,25,29)