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

Systemtic Name: N-methyl-3-(2-methylpropyl)-4-oxidanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]phthalazine-1-carboxamide CAS Name: N-methyl-3-(2-methylpropyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1-phthalazinecarboxamide IUPAC Name: N-methyl-3-(2-methylpropyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]phthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-methyl-N-[4-(trifluoromethyl)benzyl]phthalazine-1-carboxamide Formula: C22H22F3N3O2 MolecularWeight: 417.42419

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=CC=C(C=C3)C(F)(F)F

InChI

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