2-(pyridin-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-(pyridin-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-(3-pyridylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-(3-pyridinylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-(pyridin-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-(3-pyridylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C14H14N2O2 MolecularWeight: 242.27316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)CC3=CN=CC=C3

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)CC3=CN=CC=C3

InChI

InChI=1S/C14H14N2O2/c17-13-11-5-1-2-6-12(11)14(18)16(13)9-10-4-3-7-15-8-10/h1-4,7-8,11-12H,5-6,9H2