2-[(E)-3-[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]-3-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]phenol

Systemtic Name: 2-[(E)-3-[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]-3-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]phenol Openeye Name: 2-[(E)-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]phenol CAS Name: 2-[(E)-3-[1-(2,6-dimethylphenyl)-5-tetrazolyl]-3-[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]prop-1-enyl]phenol IUPAC Name: 2-[(E)-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]phenol Traditional Name: 2-[(E)-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-[4-[3-(trifluoromethyl)benzyl]piperazino]prop-1-enyl]phenol Formula: C30H31F3N6O MolecularWeight: 548.60195

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=NN=N2)C(C=CC3=CC=CC=C3O)N4CCN(CC4)CC5=CC(=CC=C5)C(F)(F)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=NN=N2)C(/C=C/C3=CC=CC=C3O)N4CCN(CC4)CC5=CC(=CC=C5)C(F)(F)F

InChI

InChI=1S/C30H31F3N6O/c1-21-7-5-8-22(2)28(21)39-29(34-35-36-39)26(14-13-24-10-3-4-12-27(24)40)38-17-15-37(16-18-38)20-23-9-6-11-25(19-23)30(31,32)33/h3-14,19,26,40H,15-18,20H2,1-2H3/b14-13+