1-[(4-methoxyphenyl)-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]methyl]-4-prop-2-enyl-piperazine

Systemtic Name: 1-[(4-methoxyphenyl)-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]methyl]-4-prop-2-enyl-piperazine Openeye Name: 1-allyl-4-[[1-(1,1-dimethylpropyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine CAS Name: 1-[(4-methoxyphenyl)-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-4-prop-2-enylpiperazine IUPAC Name: 1-[(4-methoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-prop-2-enylpiperazine Traditional Name: 1-allyl-4-[(1-tert-amyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine Formula: C21H32N6O MolecularWeight: 384.51838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)OC)N3CCN(CC3)CC=C

Isomeric SMILES

CCC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)OC)N3CCN(CC3)CC=C

InChI

InChI=1S/C21H32N6O/c1-6-12-25-13-15-26(16-14-25)19(17-8-10-18(28-5)11-9-17)20-22-23-24-27(20)21(3,4)7-2/h6,8-11,19H,1,7,12-16H2,2-5H3