1-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-pyridin-2-yl-methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-pyridin-2-yl-methyl]-4-[3-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-[(1-tert-butyltetrazol-5-yl)-(2-pyridyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine CAS Name: 1-[(1-tert-butyl-5-tetrazolyl)-(2-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-[(1-tert-butyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-[(1-tert-butyltetrazol-5-yl)-(2-pyridyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine Formula: C22H26F3N7 MolecularWeight: 445.48395

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=CC=CC=N2)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)C(C2=CC=CC=N2)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H26F3N7/c1-21(2,3)32-20(27-28-29-32)19(18-9-4-5-10-26-18)31-13-11-30(12-14-31)17-8-6-7-16(15-17)22(23,24)25/h4-10,15,19H,11-14H2,1-3H3