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

Systemtic Name: 1-(3-imidazol-1-ylpropyl)-1-(4-methoxyphenyl)-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-(3-imidazol-1-ylpropyl)-1-(4-methoxyphenyl)-3H-isobenzofuran-5-carbonitrile CAS Name: 1-[3-(1-imidazolyl)propyl]-1-(4-methoxyphenyl)-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-(3-imidazol-1-ylpropyl)-1-(4-methoxyphenyl)-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-(3-imidazol-1-ylpropyl)-1-(4-methoxyphenyl)phthalan-5-carbonitrile Formula: C22H21N3O2 MolecularWeight: 359.42104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(C3=C(CO2)C=C(C=C3)C#N)CCCN4C=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2(C3=C(CO2)C=C(C=C3)C#N)CCCN4C=CN=C4

InChI

InChI=1S/C22H21N3O2/c1-26-20-6-4-19(5-7-20)22(9-2-11-25-12-10-24-16-25)21-8-3-17(14-23)13-18(21)15-27-22/h3-8,10,12-13,16H,2,9,11,15H2,1H3