3-[1-(1,3-benzodioxol-5-yl)pyrazol-3-yl]benzenecarbonitrile

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)pyrazol-3-yl]benzenecarbonitrile Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)pyrazol-3-yl]benzonitrile CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-3-pyrazolyl]benzonitrile IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)pyrazol-3-yl]benzonitrile Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)pyrazol-3-yl]benzonitrile Formula: C17H11N3O2 MolecularWeight: 289.28814

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C=CC(=N3)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C=CC(=N3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C17H11N3O2/c18-10-12-2-1-3-13(8-12)15-6-7-20(19-15)14-4-5-16-17(9-14)22-11-21-16/h1-9H,11H2