tert-butyl 4-[4-[5-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-4-yl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[5-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-4-yl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-4-yl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-4-yl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-4-yl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[5-keto-1-[4-(trifluoromethyl)benzyl]-1,2,4-triazol-4-yl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H28F3N5O3 MolecularWeight: 503.51673

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)N3C=NN(C3=O)CC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)N3C=NN(C3=O)CC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C25H28F3N5O3/c1-24(2,3)36-23(35)31-14-12-30(13-15-31)20-8-10-21(11-9-20)32-17-29-33(22(32)34)16-18-4-6-19(7-5-18)25(26,27)28/h4-11,17H,12-16H2,1-3H3