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

Systemtic Name: 1-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-pyridin-2-yl-methyl]-4-(3-methoxyphenyl)piperazine Openeye Name: 1-[(1-tert-butyltetrazol-5-yl)-(2-pyridyl)methyl]-4-(3-methoxyphenyl)piperazine CAS Name: 1-[(1-tert-butyl-5-tetrazolyl)-(2-pyridinyl)methyl]-4-(3-methoxyphenyl)piperazine IUPAC Name: 1-[(1-tert-butyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(3-methoxyphenyl)piperazine Traditional Name: 1-[(1-tert-butyltetrazol-5-yl)-(2-pyridyl)methyl]-4-(3-methoxyphenyl)piperazine Formula: C22H29N7O MolecularWeight: 407.51196

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H29N7O/c1-22(2,3)29-21(24-25-26-29)20(19-10-5-6-11-23-19)28-14-12-27(13-15-28)17-8-7-9-18(16-17)30-4/h5-11,16,20H,12-15H2,1-4H3