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

Systemtic Name: 2-[4-(pyridin-4-ylmethyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[4-(4-pyridylmethyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-(pyridin-4-ylmethyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-(pyridin-4-ylmethyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-(4-pyridylmethyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C20H18N2O2 MolecularWeight: 318.36912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O2/c23-19-17-3-1-2-4-18(17)20(24)22(19)16-7-5-14(6-8-16)13-15-9-11-21-12-10-15/h1-2,5-12,17-18H,3-4,13H2