4-(2-imidazol-1-ylpropan-2-yl)-2-oxidanyl-benzenecarbonitrile

Systemtic Name: 4-(2-imidazol-1-ylpropan-2-yl)-2-oxidanyl-benzenecarbonitrile Openeye Name: 2-hydroxy-4-(1-imidazol-1-yl-1-methyl-ethyl)benzonitrile CAS Name: 2-hydroxy-4-[2-(1-imidazolyl)propan-2-yl]benzonitrile IUPAC Name: 2-hydroxy-4-(2-imidazol-1-ylpropan-2-yl)benzonitrile Traditional Name: 2-hydroxy-4-(1-imidazol-1-yl-1-methyl-ethyl)benzonitrile Formula: C13H13N3O MolecularWeight: 227.26182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C(C=C1)C#N)O)N2C=CN=C2

Isomeric SMILES

CC(C)(C1=CC(=C(C=C1)C#N)O)N2C=CN=C2

InChI

InChI=1S/C13H13N3O/c1-13(2,16-6-5-15-9-16)11-4-3-10(8-14)12(17)7-11/h3-7,9,17H,1-2H3