4-[[1-[3,5-bis(chloranyl)phenyl]-2-oxidanylidene-3,4,5,6-tetrahydrobenzimidazol-3a-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[1-[3,5-bis(chloranyl)phenyl]-2-oxidanylidene-3,4,5,6-tetrahydrobenzimidazol-3a-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[1-(3,5-dichlorophenyl)-2-oxo-3,4,5,6-tetrahydrobenzimidazol-3a-yl]methyl]benzonitrile CAS Name: 4-[[1-(3,5-dichlorophenyl)-2-oxo-3,4,5,6-tetrahydrobenzimidazol-3a-yl]methyl]benzonitrile IUPAC Name: 4-[[1-(3,5-dichlorophenyl)-2-oxo-3,4,5,6-tetrahydrobenzimidazol-3a-yl]methyl]benzonitrile Traditional Name: 4-[[1-(3,5-dichlorophenyl)-2-keto-3,4,5,6-tetrahydrobenzimidazol-3a-yl]methyl]benzonitrile Formula: C21H17Cl2N3O MolecularWeight: 398.28518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC=C2C(C1)(NC(=O)N2C3=CC(=CC(=C3)Cl)Cl)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC=C2C(C1)(NC(=O)N2C3=CC(=CC(=C3)Cl)Cl)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H17Cl2N3O/c22-16-9-17(23)11-18(10-16)26-19-3-1-2-8-21(19,25-20(26)27)12-14-4-6-15(13-24)7-5-14/h3-7,9-11H,1-2,8,12H2,(H,25,27)