2-[4-(1,3-benzodioxol-5-yl)-3-(6-methylpyridin-2-yl)pyrazol-1-yl]ethanenitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-3-(6-methylpyridin-2-yl)pyrazol-1-yl]ethanenitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridyl)pyrazol-1-yl]acetonitrile CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)-1-pyrazolyl]acetonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-3-(6-methylpyridin-2-yl)pyrazol-1-yl]acetonitrile Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridyl)pyrazol-1-yl]acetonitrile Formula: C18H14N4O2 MolecularWeight: 318.32936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C2=NN(C=C2C3=CC4=C(C=C3)OCO4)CC#N

Isomeric SMILES

CC1=CC=CC(=N1)C2=NN(C=C2C3=CC4=C(C=C3)OCO4)CC#N

InChI

InChI=1S/C18H14N4O2/c1-12-3-2-4-15(20-12)18-14(10-22(21-18)8-7-19)13-5-6-16-17(9-13)24-11-23-16/h2-6,9-10H,8,11H2,1H3