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

Systemtic Name: 4-[5-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-2H-1,2,3-triazol-4-yl]benzenecarbonitrile Openeye Name: 4-[5-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methyl]-2H-triazol-4-yl]benzonitrile CAS Name: 4-[5-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-2H-triazol-4-yl]benzonitrile IUPAC Name: 4-[5-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-2H-triazol-4-yl]benzonitrile Traditional Name: 4-[5-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridyl]piperazino]methyl]-2H-triazol-4-yl]benzonitrile Formula: C21H20F3N7 MolecularWeight: 427.42561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F3N7/c1-14-12-30(8-9-31(14)19-7-6-17(11-26-19)21(22,23)24)13-18-20(28-29-27-18)16-4-2-15(10-25)3-5-16/h2-7,11,14H,8-9,12-13H2,1H3,(H,27,28,29)/t14-/m1/s1