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

Systemtic Name: 4-[[5-(1-oxidanyl-4-phenyl-but-3-ynyl)imidazol-1-yl]methyl]benzenecarbonitrile hydrochloride Openeye Name: 4-[[5-(1-hydroxy-4-phenyl-but-3-ynyl)imidazol-1-yl]methyl]benzonitrile hydrochloride CAS Name: 4-[[5-(1-hydroxy-4-phenylbut-3-ynyl)-1-imidazolyl]methyl]benzonitrile hydrochloride IUPAC Name: 4-[[5-(1-hydroxy-4-phenylbut-3-ynyl)imidazol-1-yl]methyl]benzonitrile hydrochloride Traditional Name: 4-[[5-(1-hydroxy-4-phenyl-but-3-ynyl)imidazol-1-yl]methyl]benzonitrile hydrochloride Formula: C21H18ClN3O MolecularWeight: 363.84012

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O.ClH/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;1H