4-bromanyl-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-bromanyl-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-bromo-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-bromo-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-bromo-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-bromo-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-2-phenyl-pyridazin-3-one Formula: C21H17BrF3N5O3 MolecularWeight: 524.29059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrF3N5O3/c22-19-18(13-26-29(20(19)31)15-4-2-1-3-5-15)28-10-8-27(9-11-28)16-7-6-14(21(23,24)25)12-17(16)30(32)33/h1-7,12-13H,8-11H2