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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]ethanenitrile Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]acetonitrile CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]acetonitrile IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]acetonitrile Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]acetonitrile Formula: C18H13N3O2 MolecularWeight: 303.31472

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3CC#N)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3CC#N)C4=CC=CC=C4

InChI

InChI=1S/C18H13N3O2/c19-9-8-14-11-21(15-4-2-1-3-5-15)20-18(14)13-6-7-16-17(10-13)23-12-22-16/h1-7,10-11H,8,12H2