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

Systemtic Name: 5-azanyl-1-(1,3-benzodioxol-5-ylmethyl)-3-methyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(1,3-benzodioxol-5-ylmethyl)-3-methyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(1,3-benzodioxol-5-ylmethyl)-3-methylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-methyl-1-piperonyl-pyrazole-4-carbonitrile Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)N)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=NN(C(=C1C#N)N)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H12N4O2/c1-8-10(5-14)13(15)17(16-8)6-9-2-3-11-12(4-9)19-7-18-11/h2-4H,6-7,15H2,1H3