4-[3-(4-cyanophenyl)-1-(3-methylimidazol-4-yl)-1-oxidanyl-prop-2-ynyl]-2-(2-methylphenyl)benzenecarbonitrile

Systemtic Name: 4-[3-(4-cyanophenyl)-1-(3-methylimidazol-4-yl)-1-oxidanyl-prop-2-ynyl]-2-(2-methylphenyl)benzenecarbonitrile Openeye Name: 4-[3-(4-cyanophenyl)-1-hydroxy-1-(3-methylimidazol-4-yl)prop-2-ynyl]-2-(o-tolyl)benzonitrile CAS Name: 4-[3-(4-cyanophenyl)-1-hydroxy-1-(3-methyl-4-imidazolyl)prop-2-ynyl]-2-(2-methylphenyl)benzonitrile IUPAC Name: 4-[3-(4-cyanophenyl)-1-hydroxy-1-(3-methylimidazol-4-yl)prop-2-ynyl]-2-(2-methylphenyl)benzonitrile Traditional Name: 4-[3-(4-cyanophenyl)-1-hydroxy-1-(3-methylimidazol-4-yl)prop-2-ynyl]-2-(o-tolyl)benzonitrile Formula: C28H20N4O MolecularWeight: 428.4846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C#CC3=CC=C(C=C3)C#N)(C4=CN=CN4C)O)C#N

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C#CC3=CC=C(C=C3)C#N)(C4=CN=CN4C)O)C#N

InChI

InChI=1S/C28H20N4O/c1-20-5-3-4-6-25(20)26-15-24(12-11-23(26)17-30)28(33,27-18-31-19-32(27)2)14-13-21-7-9-22(16-29)10-8-21/h3-12,15,18-19,33H,1-2H3