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

Systemtic Name: 3-butyl-4-oxidanylidene-N-[[3-(trifluoromethyl)phenyl]methyl]phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1-phthalazinecarboxamide IUPAC Name: 3-butyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]phthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[3-(trifluoromethyl)benzyl]phthalazine-1-carboxamide Formula: C21H20F3N3O2 MolecularWeight: 403.39761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O2/c1-2-3-11-27-20(29)17-10-5-4-9-16(17)18(26-27)19(28)25-13-14-7-6-8-15(12-14)21(22,23)24/h4-10,12H,2-3,11,13H2,1H3,(H,25,28)