3-(1H-indol-3-yl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-(1H-indol-3-yl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one Openeye Name: 3-(1H-indol-3-yl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one CAS Name: 3-(1H-indol-3-yl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(1H-indol-3-yl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(1H-indol-3-yl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]propan-1-one Formula: C22H21F3N4O3 MolecularWeight: 446.42235

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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=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H21F3N4O3/c23-22(24,25)16-6-7-19(20(13-16)29(31)32)27-9-11-28(12-10-27)21(30)8-5-15-14-26-18-4-2-1-3-17(15)18/h1-4,6-7,13-14,26H,5,8-12H2