4-oxidanylidene-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]-3H-phthalazine-1-carboxamide Formula: C18H13F3N4O2 MolecularWeight: 374.31663

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NNC(=O)C2=CC=CC=C21)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C/C(=N\NC(=O)C1=NNC(=O)C2=CC=CC=C21)/C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H13F3N4O2/c1-10(11-5-4-6-12(9-11)18(19,20)21)22-25-17(27)15-13-7-2-3-8-14(13)16(26)24-23-15/h2-9H,1H3,(H,24,26)(H,25,27)/b22-10+