2-(3,5-dimethyl-1H-pyrazol-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C13H17N3O2 MolecularWeight: 247.29298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)N2C(=O)C3CCCCC3C2=O

Isomeric SMILES

CC1=C(C(=NN1)C)N2C(=O)C3CCCCC3C2=O

InChI

InChI=1S/C13H17N3O2/c1-7-11(8(2)15-14-7)16-12(17)9-5-3-4-6-10(9)13(16)18/h9-10H,3-6H2,1-2H3,(H,14,15)