3-[4-(1,3-benzodioxol-5-yl)-1-oxidanyl-5-pyridin-2-yl-imidazol-2-yl]benzenecarbonitrile

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)-1-oxidanyl-5-pyridin-2-yl-imidazol-2-yl]benzenecarbonitrile Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)-1-hydroxy-5-(2-pyridyl)imidazol-2-yl]benzonitrile CAS Name: 3-[4-(1,3-benzodioxol-5-yl)-1-hydroxy-5-(2-pyridinyl)-2-imidazolyl]benzonitrile IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)-1-hydroxy-5-pyridin-2-ylimidazol-2-yl]benzonitrile Traditional Name: 3-[4-(1,3-benzodioxol-5-yl)-1-hydroxy-5-(2-pyridyl)imidazol-2-yl]benzonitrile Formula: C22H14N4O3 MolecularWeight: 382.37156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(N(C(=N3)C4=CC=CC(=C4)C#N)O)C5=CC=CC=N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(N(C(=N3)C4=CC=CC(=C4)C#N)O)C5=CC=CC=N5

InChI

InChI=1S/C22H14N4O3/c23-12-14-4-3-5-16(10-14)22-25-20(15-7-8-18-19(11-15)29-13-28-18)21(26(22)27)17-6-1-2-9-24-17/h1-11,27H,13H2