5-azanyl-3-(1,3-benzodioxol-5-yl)-1-methyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-(1,3-benzodioxol-5-yl)-1-methyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-(1,3-benzodioxol-5-yl)-1-methyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-(1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-(1,3-benzodioxol-5-yl)-1-methyl-pyrazole-4-carbonitrile Formula: C12H10N4O2 MolecularWeight: 242.2334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC3=C(C=C2)OCO3)C#N)N

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC3=C(C=C2)OCO3)C#N)N

InChI

InChI=1S/C12H10N4O2/c1-16-12(14)8(5-13)11(15-16)7-2-3-9-10(4-7)18-6-17-9/h2-4H,6,14H2,1H3