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

Systemtic Name: [1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [1-(difluoromethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [1-(difluoromethyl)benzimidazol-2-yl]methyl ester Formula: C21H18F2N4O3 MolecularWeight: 412.389426

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC4=CC=CC=C4N3C(F)F

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC4=CC=CC=C4N3C(F)F

InChI

InChI=1S/C21H18F2N4O3/c1-2-11-26-19(28)14-8-4-3-7-13(14)18(25-26)20(29)30-12-17-24-15-9-5-6-10-16(15)27(17)21(22)23/h3-10,21H,2,11-12H2,1H3