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

Systemtic Name: 1-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(4-methylphenyl)methyl]-4-pyridin-2-yl-piperazine Openeye Name: 1-[(1-tert-butyltetrazol-5-yl)-(p-tolyl)methyl]-4-(2-pyridyl)piperazine CAS Name: 1-[(1-tert-butyl-5-tetrazolyl)-(4-methylphenyl)methyl]-4-(2-pyridinyl)piperazine IUPAC Name: 1-[(1-tert-butyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-pyridin-2-ylpiperazine Traditional Name: 1-[(1-tert-butyltetrazol-5-yl)-(p-tolyl)methyl]-4-(2-pyridyl)piperazine Formula: C22H29N7 MolecularWeight: 391.51256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=NN=NN2C(C)(C)C)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=NN=NN2C(C)(C)C)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H29N7/c1-17-8-10-18(11-9-17)20(21-24-25-26-29(21)22(2,3)4)28-15-13-27(14-16-28)19-7-5-6-12-23-19/h5-12,20H,13-16H2,1-4H3