N-(3-chloranyl-4-fluoranyl-phenyl)-3-(3,5-dimethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-(3,5-dimethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-(3,5-dimethoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-(3,5-dimethoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-(3,5-dimethoxyphenyl)-4-keto-phthalazine-1-carboxamide Formula: C23H17ClFN3O4 MolecularWeight: 453.850183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC(=C(C=C4)F)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC(=C(C=C4)F)Cl)OC

InChI

InChI=1S/C23H17ClFN3O4/c1-31-15-10-14(11-16(12-15)32-2)28-23(30)18-6-4-3-5-17(18)21(27-28)22(29)26-13-7-8-20(25)19(24)9-13/h3-12H,1-2H3,(H,26,29)