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

Systemtic Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C20H16F3N5O4 MolecularWeight: 447.36735

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H16F3N5O4/c21-20(22,23)12-5-6-15(16(11-12)28(31)32)26-7-9-27(10-8-26)19(30)17-13-3-1-2-4-14(13)18(29)25-24-17/h1-6,11H,7-10H2,(H,25,29)