4-[1-(3-methylimidazol-4-yl)-1-oxidanyl-ethyl]-2-[3-(phenylcarbonyl)phenoxy]benzenecarbonitrile

Systemtic Name: 4-[1-(3-methylimidazol-4-yl)-1-oxidanyl-ethyl]-2-[3-(phenylcarbonyl)phenoxy]benzenecarbonitrile Openeye Name: 2-(3-benzoylphenoxy)-4-[1-hydroxy-1-(3-methylimidazol-4-yl)ethyl]benzonitrile CAS Name: 2-(3-benzoylphenoxy)-4-[1-hydroxy-1-(3-methyl-4-imidazolyl)ethyl]benzonitrile IUPAC Name: 2-(3-benzoylphenoxy)-4-[1-hydroxy-1-(3-methylimidazol-4-yl)ethyl]benzonitrile Traditional Name: 2-(3-benzoylphenoxy)-4-[1-hydroxy-1-(3-methylimidazol-4-yl)ethyl]benzonitrile Formula: C26H21N3O3 MolecularWeight: 423.46324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C#N)OC2=CC=CC(=C2)C(=O)C3=CC=CC=C3)(C4=CN=CN4C)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)C#N)OC2=CC=CC(=C2)C(=O)C3=CC=CC=C3)(C4=CN=CN4C)O

InChI

InChI=1S/C26H21N3O3/c1-26(31,24-16-28-17-29(24)2)21-12-11-20(15-27)23(14-21)32-22-10-6-9-19(13-22)25(30)18-7-4-3-5-8-18/h3-14,16-17,31H,1-2H3