2-ethyl-7-[1-(1H-imidazol-5-yl)-2-methyl-1-oxidanyl-propyl]-1H-benzo[e]isoindol-3-one

Systemtic Name: 2-ethyl-7-[1-(1H-imidazol-5-yl)-2-methyl-1-oxidanyl-propyl]-1H-benzo[e]isoindol-3-one Openeye Name: 2-ethyl-7-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methyl-propyl]-1H-benzo[e]isoindol-3-one CAS Name: 2-ethyl-7-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-1H-benzo[e]isoindol-3-one IUPAC Name: 2-ethyl-7-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-1H-benzo[e]isoindol-3-one Traditional Name: 2-ethyl-7-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methyl-propyl]-1H-benz[e]isoindol-3-one Formula: C21H23N3O2 MolecularWeight: 349.42622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC2=C(C1=O)C=CC3=C2C=CC(=C3)C(C4=CN=CN4)(C(C)C)O

Isomeric SMILES

CCN1CC2=C(C1=O)C=CC3=C2C=CC(=C3)C(C4=CN=CN4)(C(C)C)O

InChI

InChI=1S/C21H23N3O2/c1-4-24-11-18-16-8-6-15(9-14(16)5-7-17(18)20(24)25)21(26,13(2)3)19-10-22-12-23-19/h5-10,12-13,26H,4,11H2,1-3H3,(H,22,23)