N-[1-(3,3-dimethylbutyl)-4-oxidanylidene-3H-phthalazin-6-yl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[1-(3,3-dimethylbutyl)-4-oxidanylidene-3H-phthalazin-6-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[1-(3,3-dimethylbutyl)-4-keto-3H-phthalazin-6-yl]-4-(trifluoromethyl)benzamide Formula: C22H22F3N3O2 MolecularWeight: 417.42419

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCC1=NNC(=O)C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)CCC1=NNC(=O)C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C22H22F3N3O2/c1-21(2,3)11-10-18-16-9-8-15(12-17(16)20(30)28-27-18)26-19(29)13-4-6-14(7-5-13)22(23,24)25/h4-9,12H,10-11H2,1-3H3,(H,26,29)(H,28,30)