4-[[5-(1-oxidanyl-4-phenyl-but-3-ynyl)imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(1-oxidanyl-4-phenyl-but-3-ynyl)imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-(1-hydroxy-4-phenyl-but-3-ynyl)imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-(1-hydroxy-4-phenylbut-3-ynyl)-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-(1-hydroxy-4-phenylbut-3-ynyl)imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-(1-hydroxy-4-phenyl-but-3-ynyl)imidazol-1-yl]methyl]benzonitrile Formula: C21H17N3O MolecularWeight: 327.37918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CCC(C2=CN=CN2CC3=CC=C(C=C3)C#N)O

Isomeric SMILES

C1=CC=C(C=C1)C#CCC(C2=CN=CN2CC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C21H17N3O/c22-13-18-9-11-19(12-10-18)15-24-16-23-14-20(24)21(25)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-12,14,16,21,25H,8,15H2