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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1C2=C(C=CC3=CC=CC=C32)C(=O)N1C)(C4=CN=CN4)O

Isomeric SMILES

CC(C)CC(C1C2=C(C=CC3=CC=CC=C32)C(=O)N1C)(C4=CN=CN4)O

InChI

InChI=1S/C21H23N3O2/c1-13(2)10-21(26,17-11-22-12-23-17)19-18-15-7-5-4-6-14(15)8-9-16(18)20(25)24(19)3/h4-9,11-13,19,26H,10H2,1-3H3,(H,22,23)