2-(3-imidazol-1-yl-3-methyl-butyl)isoindole-1,3-dione

Systemtic Name: 2-(3-imidazol-1-yl-3-methyl-butyl)isoindole-1,3-dione Openeye Name: 2-(3-imidazol-1-yl-3-methyl-butyl)isoindoline-1,3-dione CAS Name: 2-[3-(1-imidazolyl)-3-methylbutyl]isoindole-1,3-dione IUPAC Name: 2-(3-imidazol-1-yl-3-methylbutyl)isoindole-1,3-dione Traditional Name: 2-(3-imidazol-1-yl-3-methyl-butyl)isoindoline-1,3-quinone Formula: C16H17N3O2 MolecularWeight: 283.32508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCN1C(=O)C2=CC=CC=C2C1=O)N3C=CN=C3

Isomeric SMILES

CC(C)(CCN1C(=O)C2=CC=CC=C2C1=O)N3C=CN=C3

InChI

InChI=1S/C16H17N3O2/c1-16(2,18-10-8-17-11-18)7-9-19-14(20)12-5-3-4-6-13(12)15(19)21/h3-6,8,10-11H,7,9H2,1-2H3