3-(2-methylpropyl)-4-oxidanylidene-N-[4-(trifluoromethyloxy)phenyl]phthalazine-1-carboxamide

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-N-[4-(trifluoromethyloxy)phenyl]phthalazine-1-carboxamide Openeye Name: 3-isobutyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide CAS Name: 3-(2-methylpropyl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-(2-methylpropyl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-[4-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide Formula: C20H18F3N3O3 MolecularWeight: 405.37043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F3N3O3/c1-12(2)11-26-19(28)16-6-4-3-5-15(16)17(25-26)18(27)24-13-7-9-14(10-8-13)29-20(21,22)23/h3-10,12H,11H2,1-2H3,(H,24,27)