5-(1,3-benzodioxol-5-ylmethylamino)-1H-pyrazole-4-carbonitrile

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-1H-pyrazole-4-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-1H-pyrazole-4-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-1H-pyrazole-4-carbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-1H-pyrazole-4-carbonitrile Traditional Name: 5-(piperonylamino)-1H-pyrazole-4-carbonitrile Formula: C12H10N4O2 MolecularWeight: 242.2334

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C=NN3)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C=NN3)C#N

InChI

InChI=1S/C12H10N4O2/c13-4-9-6-15-16-12(9)14-5-8-1-2-10-11(3-8)18-7-17-10/h1-3,6H,5,7H2,(H2,14,15,16)