N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3H-phthalazine-1-carboxamide Formula: C23H16F3N3O4 MolecularWeight: 455.38605

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C23H16F3N3O4/c1-32-14-5-4-6-15(12-14)33-19-10-9-13(23(24,25)26)11-18(19)27-22(31)20-16-7-2-3-8-17(16)21(30)29-28-20/h2-12H,1H3,(H,27,31)(H,29,30)