3-(1,3-benzodioxol-5-yl)-4-[2-(4-cyanophenyl)-2-(3-methylimidazol-4-yl)-2-oxidanyl-ethoxy]benzenecarbonitrile

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-[2-(4-cyanophenyl)-2-(3-methylimidazol-4-yl)-2-oxidanyl-ethoxy]benzenecarbonitrile Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-[2-(4-cyanophenyl)-2-hydroxy-2-(3-methylimidazol-4-yl)ethoxy]benzonitrile CAS Name: 3-(1,3-benzodioxol-5-yl)-4-[2-(4-cyanophenyl)-2-hydroxy-2-(3-methyl-4-imidazolyl)ethoxy]benzonitrile IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-[2-(4-cyanophenyl)-2-hydroxy-2-(3-methylimidazol-4-yl)ethoxy]benzonitrile Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-[2-(4-cyanophenyl)-2-hydroxy-2-(3-methylimidazol-4-yl)ethoxy]benzonitrile Formula: C27H20N4O4 MolecularWeight: 464.4721

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(COC2=C(C=C(C=C2)C#N)C3=CC4=C(C=C3)OCO4)(C5=CC=C(C=C5)C#N)O

Isomeric SMILES

CN1C=NC=C1C(COC2=C(C=C(C=C2)C#N)C3=CC4=C(C=C3)OCO4)(C5=CC=C(C=C5)C#N)O

InChI

InChI=1S/C27H20N4O4/c1-31-16-30-14-26(31)27(32,21-6-2-18(12-28)3-7-21)15-33-23-8-4-19(13-29)10-22(23)20-5-9-24-25(11-20)35-17-34-24/h2-11,14,16,32H,15,17H2,1H3