2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CN3C(=O)C4CC=CCC4C3=O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CN3C(=O)C4CC=CCC4C3=O

InChI

InChI=1S/C22H22N2O3/c1-14-12-19(15(2)24(14)16-8-4-3-5-9-16)20(25)13-23-21(26)17-10-6-7-11-18(17)22(23)27/h3-9,12,17-18H,10-11,13H2,1-2H3