2-(6-chloranylpyridazin-3-yl)-2-(2-methoxy-5-phenylmethoxy-phenyl)ethanenitrile

Systemtic Name: 2-(6-chloranylpyridazin-3-yl)-2-(2-methoxy-5-phenylmethoxy-phenyl)ethanenitrile Openeye Name: 2-(5-benzyloxy-2-methoxy-phenyl)-2-(6-chloropyridazin-3-yl)acetonitrile CAS Name: 2-(6-chloro-3-pyridazinyl)-2-(2-methoxy-5-phenylmethoxyphenyl)acetonitrile IUPAC Name: 2-(6-chloropyridazin-3-yl)-2-(2-methoxy-5-phenylmethoxyphenyl)acetonitrile Traditional Name: 2-(5-benzoxy-2-methoxy-phenyl)-2-(6-chloropyridazin-3-yl)acetonitrile Formula: C20H16ClN3O2 MolecularWeight: 365.81294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OCC2=CC=CC=C2)C(C#N)C3=NN=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)OCC2=CC=CC=C2)C(C#N)C3=NN=C(C=C3)Cl

InChI

InChI=1S/C20H16ClN3O2/c1-25-19-9-7-15(26-13-14-5-3-2-4-6-14)11-16(19)17(12-22)18-8-10-20(21)24-23-18/h2-11,17H,13H2,1H3