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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O/c1-28-19-8-6-17(7-9-19)16-27-21(23-24-25-27)20(18-10-12-22-13-11-18)26-14-4-2-3-5-15-26/h6-13,20H,2-5,14-16H2,1H3