4-[2-(hydroxymethyl)-3-imidazol-1-yl-propyl]benzenecarbonitrile

Systemtic Name: 4-[2-(hydroxymethyl)-3-imidazol-1-yl-propyl]benzenecarbonitrile Openeye Name: 4-[2-(hydroxymethyl)-3-imidazol-1-yl-propyl]benzonitrile CAS Name: 4-[2-(hydroxymethyl)-3-(1-imidazolyl)propyl]benzonitrile IUPAC Name: 4-[2-(hydroxymethyl)-3-imidazol-1-ylpropyl]benzonitrile Traditional Name: 4-[3-hydroxy-2-(imidazol-1-ylmethyl)propyl]benzonitrile Formula: C14H15N3O MolecularWeight: 241.2884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CN2C=CN=C2)CO)C#N

Isomeric SMILES

C1=CC(=CC=C1CC(CN2C=CN=C2)CO)C#N

InChI

InChI=1S/C14H15N3O/c15-8-13-3-1-12(2-4-13)7-14(10-18)9-17-6-5-16-11-17/h1-6,11,14,18H,7,9-10H2