4-(1-imidazol-1-yl-3-oxidanyl-propyl)benzenecarbonitrile

Systemtic Name: 4-(1-imidazol-1-yl-3-oxidanyl-propyl)benzenecarbonitrile Openeye Name: 4-(3-hydroxy-1-imidazol-1-yl-propyl)benzonitrile CAS Name: 4-[3-hydroxy-1-(1-imidazolyl)propyl]benzonitrile IUPAC Name: 4-(3-hydroxy-1-imidazol-1-ylpropyl)benzonitrile Traditional Name: 4-(3-hydroxy-1-imidazol-1-yl-propyl)benzonitrile Formula: C13H13N3O MolecularWeight: 227.26182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(CCO)N2C=CN=C2

Isomeric SMILES

C1=CC(=CC=C1C#N)C(CCO)N2C=CN=C2

InChI

InChI=1S/C13H13N3O/c14-9-11-1-3-12(4-2-11)13(5-8-17)16-7-6-15-10-16/h1-4,6-7,10,13,17H,5,8H2