N-(2-cyanopropan-2-yl)-2-[5-(3-methoxy-4-phenylmethoxy-phenyl)-1,2,3,4-tetrazol-2-yl]ethanamide

Systemtic Name: N-(2-cyanopropan-2-yl)-2-[5-(3-methoxy-4-phenylmethoxy-phenyl)-1,2,3,4-tetrazol-2-yl]ethanamide Openeye Name: 2-[5-(4-benzyloxy-3-methoxy-phenyl)tetrazol-2-yl]-N-(1-cyano-1-methyl-ethyl)acetamide CAS Name: N-(2-cyanopropan-2-yl)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)-2-tetrazolyl]acetamide IUPAC Name: N-(2-cyanopropan-2-yl)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]acetamide Traditional Name: 2-[5-(4-benzoxy-3-methoxy-phenyl)tetrazol-2-yl]-N-(1-cyano-1-methyl-ethyl)acetamide Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)NC(=O)CN1N=C(N=N1)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)(C#N)NC(=O)CN1N=C(N=N1)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H22N6O3/c1-21(2,14-22)23-19(28)12-27-25-20(24-26-27)16-9-10-17(18(11-16)29-3)30-13-15-7-5-4-6-8-15/h4-11H,12-13H2,1-3H3,(H,23,28)