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

Systemtic Name: 3-[2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-ethyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-keto-ethyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C19H14ClF3N4O3 MolecularWeight: 438.78767

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClF3N4O3/c1-24-17(29)16-11-4-2-3-5-12(11)18(30)27(26-16)9-15(28)25-10-6-7-14(20)13(8-10)19(21,22)23/h2-8H,9H2,1H3,(H,24,29)(H,25,28)