2-methyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-methyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-methyl-4-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-methyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phthalazin-1-one Formula: C21H18F3N5O4 MolecularWeight: 461.39393

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H18F3N5O4/c1-26-19(30)15-5-3-2-4-14(15)18(25-26)20(31)28-10-8-27(9-11-28)16-7-6-13(21(22,23)24)12-17(16)29(32)33/h2-7,12H,8-11H2,1H3