4-[[5-(1-oxidanyl-3-phenyl-prop-2-ynyl)imidazol-1-yl]methyl]benzenecarbonitrile hydrochloride

Systemtic Name: 4-[[5-(1-oxidanyl-3-phenyl-prop-2-ynyl)imidazol-1-yl]methyl]benzenecarbonitrile hydrochloride Openeye Name: 4-[[5-(1-hydroxy-3-phenyl-prop-2-ynyl)imidazol-1-yl]methyl]benzonitrile hydrochloride CAS Name: 4-[[5-(1-hydroxy-3-phenylprop-2-ynyl)-1-imidazolyl]methyl]benzonitrile hydrochloride IUPAC Name: 4-[[5-(1-hydroxy-3-phenylprop-2-ynyl)imidazol-1-yl]methyl]benzonitrile hydrochloride Traditional Name: 4-[[5-(1-hydroxy-3-phenyl-prop-2-ynyl)imidazol-1-yl]methyl]benzonitrile hydrochloride Formula: C20H16ClN3O MolecularWeight: 349.81354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O.ClH/c21-12-17-6-8-18(9-7-17)14-23-15-22-13-19(23)20(24)11-10-16-4-2-1-3-5-16;/h1-9,13,15,20,24H,14H2;1H