2-[4-[6-(2-ethanoylphenyl)pyridin-3-yl]-5-(3-methoxy-5-methyl-phenyl)pyrazol-1-yl]ethanenitrile

Systemtic Name: 2-[4-[6-(2-ethanoylphenyl)pyridin-3-yl]-5-(3-methoxy-5-methyl-phenyl)pyrazol-1-yl]ethanenitrile Openeye Name: 2-[4-[6-(2-acetylphenyl)-3-pyridyl]-5-(3-methoxy-5-methyl-phenyl)pyrazol-1-yl]acetonitrile CAS Name: 2-[4-[6-(2-acetylphenyl)-3-pyridinyl]-5-(3-methoxy-5-methylphenyl)-1-pyrazolyl]acetonitrile IUPAC Name: 2-[4-[6-(2-acetylphenyl)pyridin-3-yl]-5-(3-methoxy-5-methylphenyl)pyrazol-1-yl]acetonitrile Traditional Name: 2-[4-[6-(2-acetylphenyl)-3-pyridyl]-5-(3-methoxy-5-methyl-phenyl)pyrazol-1-yl]acetonitrile Formula: C26H22N4O2 MolecularWeight: 422.47848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C=NN2CC#N)C3=CN=C(C=C3)C4=CC=CC=C4C(=O)C)OC

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C=NN2CC#N)C3=CN=C(C=C3)C4=CC=CC=C4C(=O)C)OC

InChI

InChI=1S/C26H22N4O2/c1-17-12-20(14-21(13-17)32-3)26-24(16-29-30(26)11-10-27)19-8-9-25(28-15-19)23-7-5-4-6-22(23)18(2)31/h4-9,12-16H,11H2,1-3H3