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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)-3-(6-methylpyridin-2-yl)pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridyl)pyrazol-1-yl]propanenitrile CAS Name: 3-[4-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)-3-(6-methylpyridin-2-yl)pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridyl)pyrazol-1-yl]propionitrile Formula: C19H16N4O2 MolecularWeight: 332.35594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O2/c1-13-4-2-5-16(21-13)19-15(11-23(22-19)9-3-8-20)14-6-7-17-18(10-14)25-12-24-17/h2,4-7,10-11H,3,9,12H2,1H3