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

Systemtic Name: 4-[1-(3-methylimidazol-4-yl)-1-oxidanyl-3-phenyl-prop-2-ynyl]-2-(2-methylphenyl)benzenecarbonitrile Openeye Name: 4-[1-hydroxy-1-(3-methylimidazol-4-yl)-3-phenyl-prop-2-ynyl]-2-(o-tolyl)benzonitrile CAS Name: 4-[1-hydroxy-1-(3-methyl-4-imidazolyl)-3-phenylprop-2-ynyl]-2-(2-methylphenyl)benzonitrile IUPAC Name: 4-[1-hydroxy-1-(3-methylimidazol-4-yl)-3-phenylprop-2-ynyl]-2-(2-methylphenyl)benzonitrile Traditional Name: 4-[1-hydroxy-1-(3-methylimidazol-4-yl)-3-phenyl-prop-2-ynyl]-2-(o-tolyl)benzonitrile Formula: C27H21N3O MolecularWeight: 403.47514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21N3O/c1-20-8-6-7-11-24(20)25-16-23(13-12-22(25)17-28)27(31,26-18-29-19-30(26)2)15-14-21-9-4-3-5-10-21/h3-13,16,18-19,31H,1-2H3