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

Systemtic Name: 3-[[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[[1-(difluoromethyl)-2-benzimidazolyl]methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H12F2N4O3 MolecularWeight: 370.309686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=CC=CC=C4N3C(F)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=CC=CC=C4N3C(F)F)C(=O)O

InChI

InChI=1S/C18H12F2N4O3/c19-18(20)24-13-8-4-3-7-12(13)21-14(24)9-23-16(25)11-6-2-1-5-10(11)15(22-23)17(26)27/h1-8,18H,9H2,(H,26,27)