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

Systemtic Name: 1-[[1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]-pyridin-2-yl-methyl]azepane Openeye Name: 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(2-pyridyl)methyl]azepane CAS Name: 1-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]-(2-pyridinyl)methyl]azepane IUPAC Name: 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-2-ylmethyl]azepane Traditional Name: 1-[(1-p-anisyltetrazol-5-yl)-(2-pyridyl)methyl]azepane Formula: C21H26N6O MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=NN=N2)C(C3=CC=CC=N3)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=NN=N2)C(C3=CC=CC=N3)N4CCCCCC4

InChI

InChI=1S/C21H26N6O/c1-28-18-11-9-17(10-12-18)16-27-21(23-24-25-27)20(19-8-4-5-13-22-19)26-14-6-2-3-7-15-26/h4-5,8-13,20H,2-3,6-7,14-16H2,1H3