2-[[1-(3-imidazol-1-ylpropyl)-5-methyl-pyrrol-2-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[1-(3-imidazol-1-ylpropyl)-5-methyl-pyrrol-2-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[1-(3-imidazol-1-ylpropyl)-5-methyl-pyrrol-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[1-[3-(1-imidazolyl)propyl]-5-methyl-2-pyrrolyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[1-(3-imidazol-1-ylpropyl)-5-methylpyrrol-2-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[1-(3-imidazol-1-ylpropyl)-5-methyl-pyrrol-2-yl]methyl]isoindoline-1,3-quinone Formula: C20H20N4O2 MolecularWeight: 348.3984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CCCN2C=CN=C2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(N1CCCN2C=CN=C2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H20N4O2/c1-15-7-8-16(23(15)11-4-10-22-12-9-21-14-22)13-24-19(25)17-5-2-3-6-18(17)20(24)26/h2-3,5-9,12,14H,4,10-11,13H2,1H3