1-(4-chlorophenyl)-1-(3-imidazol-1-ylpropyl)-3H-2-benzofuran-5-carbonitrile

Systemtic Name: 1-(4-chlorophenyl)-1-(3-imidazol-1-ylpropyl)-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-(4-chlorophenyl)-1-(3-imidazol-1-ylpropyl)-3H-isobenzofuran-5-carbonitrile CAS Name: 1-(4-chlorophenyl)-1-[3-(1-imidazolyl)propyl]-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-(4-chlorophenyl)-1-(3-imidazol-1-ylpropyl)-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-(4-chlorophenyl)-1-(3-imidazol-1-ylpropyl)phthalan-5-carbonitrile Formula: C21H18ClN3O MolecularWeight: 363.84012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCN3C=CN=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCN3C=CN=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN3O/c22-19-5-3-18(4-6-19)21(8-1-10-25-11-9-24-15-25)20-7-2-16(13-23)12-17(20)14-26-21/h2-7,9,11-12,15H,1,8,10,14H2