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

Systemtic Name: 3-[2-[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[4-bromo-3-(trifluoromethyl)anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C18H12BrF3N4O3 MolecularWeight: 469.21209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrF3N4O3/c19-13-6-5-9(7-12(13)18(20,21)22)24-14(27)8-26-17(29)11-4-2-1-3-10(11)15(25-26)16(23)28/h1-7H,8H2,(H2,23,28)(H,24,27)