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

Systemtic Name: 4-(1H-indol-3-yl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one Openeye Name: 4-(1H-indol-3-yl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one CAS Name: 4-(1H-indol-3-yl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-indol-3-yl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]butan-1-one Formula: C23H23F3N4O3 MolecularWeight: 460.44893

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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)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H23F3N4O3/c24-23(25,26)17-8-9-20(21(14-17)30(32)33)28-10-12-29(13-11-28)22(31)7-3-4-16-15-27-19-6-2-1-5-18(16)19/h1-2,5-6,8-9,14-15,27H,3-4,7,10-13H2