3-[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[3,5-bis(trifluoromethyl)anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C19H12F6N4O3 MolecularWeight: 458.313999

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)N

InChI

InChI=1S/C19H12F6N4O3/c20-18(21,22)9-5-10(19(23,24)25)7-11(6-9)27-14(30)8-29-17(32)13-4-2-1-3-12(13)15(28-29)16(26)31/h1-7H,8H2,(H2,26,31)(H,27,30)