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

Systemtic Name: 4-oxidanylidene-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-phthalazine-1-carboxamide Formula: C18H11F3N6O2 MolecularWeight: 400.31415

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=NC=N4

InChI

InChI=1S/C18H11F3N6O2/c19-18(20,21)10-5-6-14(27-9-22-8-23-27)13(7-10)24-17(29)15-11-3-1-2-4-12(11)16(28)26-25-15/h1-9H,(H,24,29)(H,26,28)