4-oxidanylidene-3-propan-2-yl-N-[2-[[4-(trifluoromethyl)phenyl]carbonylamino]ethyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-propan-2-yl-N-[2-[[4-(trifluoromethyl)phenyl]carbonylamino]ethyl]phthalazine-1-carboxamide Openeye Name: 3-isopropyl-4-oxo-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]phthalazine-1-carboxamide CAS Name: 4-oxo-N-[2-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-propan-2-yl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]phthalazine-1-carboxamide Traditional Name: 3-isopropyl-4-keto-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]phthalazine-1-carboxamide Formula: C22H21F3N4O3 MolecularWeight: 446.42235

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCNC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCNC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C22H21F3N4O3/c1-13(2)29-21(32)17-6-4-3-5-16(17)18(28-29)20(31)27-12-11-26-19(30)14-7-9-15(10-8-14)22(23,24)25/h3-10,13H,11-12H2,1-2H3,(H,26,30)(H,27,31)