2-[(3R,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-3-(1,2,4-triazol-4-yl)piperidin-3-yl]ethanenitrile

Systemtic Name: 2-[(3R,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-3-(1,2,4-triazol-4-yl)piperidin-3-yl]ethanenitrile Openeye Name: 2-[(3R,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-3-(1,2,4-triazol-4-yl)-3-piperidyl]acetonitrile CAS Name: 2-[(3R,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-3-(1,2,4-triazol-4-yl)-3-piperidinyl]acetonitrile IUPAC Name: 2-[(3R,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-3-(1,2,4-triazol-4-yl)piperidin-3-yl]acetonitrile Traditional Name: 2-[(3R,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-3-(1,2,4-triazol-4-yl)-3-piperidyl]acetonitrile Formula: C26H25F6N5O MolecularWeight: 537.500019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OCC2(CCC(CN2)(CC#N)N3C=NN=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC[C@]2(CC[C@](CN2)(CC#N)N3C=NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H25F6N5O/c1-18(19-11-21(25(27,28)29)13-22(12-19)26(30,31)32)38-15-24(20-5-3-2-4-6-20)8-7-23(9-10-33,14-34-24)37-16-35-36-17-37/h2-6,11-13,16-18,34H,7-9,14-15H2,1H3/t18-,23-,24-/m1/s1