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

Systemtic Name: 3-[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxo-ethyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[3,5-bis(trifluoromethyl)anilino]-2-keto-ethyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C20H14F6N4O3 MolecularWeight: 472.340579

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H14F6N4O3/c1-27-17(32)16-13-4-2-3-5-14(13)18(33)30(29-16)9-15(31)28-12-7-10(19(21,22)23)6-11(8-12)20(24,25)26/h2-8H,9H2,1H3,(H,27,32)(H,28,31)