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

Systemtic Name: 2-[5-(3-methoxy-4-phenylmethoxy-phenyl)-1,2,3,4-tetrazol-2-yl]ethanenitrile Openeye Name: 2-[5-(4-benzyloxy-3-methoxy-phenyl)tetrazol-2-yl]acetonitrile CAS Name: 2-[5-(3-methoxy-4-phenylmethoxyphenyl)-2-tetrazolyl]acetonitrile IUPAC Name: 2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]acetonitrile Traditional Name: 2-[5-(4-benzoxy-3-methoxy-phenyl)tetrazol-2-yl]acetonitrile Formula: C17H15N5O2 MolecularWeight: 321.3333

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN(N=N2)CC#N)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(N=N2)CC#N)OCC3=CC=CC=C3

InChI

InChI=1S/C17H15N5O2/c1-23-16-11-14(17-19-21-22(20-17)10-9-18)7-8-15(16)24-12-13-5-3-2-4-6-13/h2-8,11H,10,12H2,1H3