N-(4-chlorophenyl)-4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide

Systemtic Name: N-(4-chlorophenyl)-4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Openeye Name: N-(4-chlorophenyl)-4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide CAS Name: N-(4-chlorophenyl)-4-oxo-3-[3-(trifluoromethyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: N-(4-chlorophenyl)-4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Traditional Name: N-(4-chlorophenyl)-4-keto-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Formula: C22H13ClF3N3O2 MolecularWeight: 443.80573

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)C3=CC=CC(=C3)C(F)(F)F)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)C3=CC=CC(=C3)C(F)(F)F)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H13ClF3N3O2/c23-14-8-10-15(11-9-14)27-20(30)19-17-6-1-2-7-18(17)21(31)29(28-19)16-5-3-4-13(12-16)22(24,25)26/h1-12H,(H,27,30)