1-(2,3-dimethylphenyl)-4-[[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]-pyridin-4-yl-methyl]piperazine

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]-pyridin-4-yl-methyl]piperazine Openeye Name: 1-(2,3-dimethylphenyl)-4-[[1-(1,1-dimethylpropyl)tetrazol-5-yl]-(4-pyridyl)methyl]piperazine CAS Name: 1-(2,3-dimethylphenyl)-4-[[1-(2-methylbutan-2-yl)-5-tetrazolyl]-pyridin-4-ylmethyl]piperazine IUPAC Name: 1-(2,3-dimethylphenyl)-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-4-ylmethyl]piperazine Traditional Name: 1-[(1-tert-amyltetrazol-5-yl)-(4-pyridyl)methyl]-4-(2,3-dimethylphenyl)piperazine Formula: C24H33N7 MolecularWeight: 419.56572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N1C(=NN=N1)C(C2=CC=NC=C2)N3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CCC(C)(C)N1C(=NN=N1)C(C2=CC=NC=C2)N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C24H33N7/c1-6-24(4,5)31-23(26-27-28-31)22(20-10-12-25-13-11-20)30-16-14-29(15-17-30)21-9-7-8-18(2)19(21)3/h7-13,22H,6,14-17H2,1-5H3