4-[5-[[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2H-1,2,3-triazol-4-yl]benzenecarbonitrile

Systemtic Name: 4-[5-[[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2H-1,2,3-triazol-4-yl]benzenecarbonitrile Openeye Name: 4-[5-[[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2H-triazol-4-yl]benzonitrile CAS Name: 4-[5-[[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-2H-triazol-4-yl]benzonitrile IUPAC Name: 4-[5-[[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2H-triazol-4-yl]benzonitrile Traditional Name: 4-[5-[[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazino]methyl]-2H-triazol-4-yl]benzonitrile Formula: C22H21F3N6 MolecularWeight: 426.43755

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C(F)(F)F)CC3=NNN=C3C4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@@H]1CN(CCN1C2=CC=C(C=C2)C(F)(F)F)CC3=NNN=C3C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H21F3N6/c1-15-13-30(10-11-31(15)19-8-6-18(7-9-19)22(23,24)25)14-20-21(28-29-27-20)17-4-2-16(12-26)3-5-17/h2-9,15H,10-11,13-14H2,1H3,(H,27,28,29)/t15-/m1/s1