N-[2,6-bis(fluoranyl)phenyl]-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2,6-bis(fluoranyl)phenyl]-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(2,6-difluorophenyl)-4-keto-3-(4-methoxyphenyl)phthalazine-1-carboxamide Formula: C22H15F2N3O3 MolecularWeight: 407.369606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=CC=C4F)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=CC=C4F)F

InChI

InChI=1S/C22H15F2N3O3/c1-30-14-11-9-13(10-12-14)27-22(29)16-6-3-2-5-15(16)19(26-27)21(28)25-20-17(23)7-4-8-18(20)24/h2-12H,1H3,(H,25,28)