4-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile

Systemtic Name: 4-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile Openeye Name: 4-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-oxo-propyl]benzonitrile CAS Name: 4-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-3-oxopropyl]benzonitrile IUPAC Name: 4-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-oxopropyl]benzonitrile Traditional Name: 4-[3-keto-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]propyl]benzonitrile Formula: C21H19F3N4O3 MolecularWeight: 432.39577

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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)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19F3N4O3/c22-21(23,24)17-6-7-18(19(13-17)28(30)31)26-9-11-27(12-10-26)20(29)8-5-15-1-3-16(14-25)4-2-15/h1-4,6-7,13H,5,8-12H2