[1-[bis(fluoranyl)methyl]imidazol-2-yl]methyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: [1-[bis(fluoranyl)methyl]imidazol-2-yl]methyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: [1-(difluoromethyl)imidazol-2-yl]methyl 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [1-(difluoromethyl)-2-imidazolyl]methyl ester IUPAC Name: [1-(difluoromethyl)imidazol-2-yl]methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [1-(difluoromethyl)imidazol-2-yl]methyl ester Formula: C17H16F2N4O3 MolecularWeight: 362.330746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC=CN3C(F)F

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC=CN3C(F)F

InChI

InChI=1S/C17H16F2N4O3/c1-10(2)23-15(24)12-6-4-3-5-11(12)14(21-23)16(25)26-9-13-20-7-8-22(13)17(18)19/h3-8,10,17H,9H2,1-2H3