2-[1-(phenylmethyl)pyrazol-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[1-(phenylmethyl)pyrazol-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-(1-benzylpyrazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[1-(phenylmethyl)-3-pyrazolyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-(1-benzylpyrazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-(1-benzylpyrazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)C3=NN(C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)C3=NN(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C18H17N3O2/c22-17-14-8-4-5-9-15(14)18(23)21(17)16-10-11-20(19-16)12-13-6-2-1-3-7-13/h1-7,10-11,14-15H,8-9,12H2