2-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-4-(4-imidazol-1-ylphenoxy)pyrimidine

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-4-(4-imidazol-1-ylphenoxy)pyrimidine Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-4-(4-imidazol-1-ylphenoxy)pyrimidine CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-4-[4-(1-imidazolyl)phenoxy]pyrimidine IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-4-(4-imidazol-1-ylphenoxy)pyrimidine Traditional Name: 5-ethyl-4-(4-imidazol-1-ylphenoxy)-2-piperonyl-pyrimidine Formula: C23H20N4O3 MolecularWeight: 400.4299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1OC2=CC=C(C=C2)N3C=CN=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CN=C(N=C1OC2=CC=C(C=C2)N3C=CN=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H20N4O3/c1-2-17-13-25-22(12-16-3-8-20-21(11-16)29-15-28-20)26-23(17)30-19-6-4-18(5-7-19)27-10-9-24-14-27/h3-11,13-14H,2,12,15H2,1H3