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

Systemtic Name: N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H21F3N4O2 MolecularWeight: 418.41225

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)C(F)(F)F)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)C(F)(F)F)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C21H21F3N4O2/c1-4-28(5-2)17-11-10-13(21(22,23)24)12-16(17)25-19(29)18-14-8-6-7-9-15(14)20(30)27(3)26-18/h6-12H,4-5H2,1-3H3,(H,25,29)