2-(5-methyl-1H-pyrazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-(5-methyl-1H-pyrazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-(5-methyl-1H-pyrazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-(5-methyl-1H-pyrazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-(5-methyl-1H-pyrazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-(5-methyl-1H-pyrazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)N2C(=O)C3CC=CCC3C2=O

Isomeric SMILES

CC1=CC(=NN1)N2C(=O)C3CC=CCC3C2=O

InChI

InChI=1S/C12H13N3O2/c1-7-6-10(14-13-7)15-11(16)8-4-2-3-5-9(8)12(15)17/h2-3,6,8-9H,4-5H2,1H3,(H,13,14)