2-(4-imidazol-1-ylbutoxy)benzenecarbonitrile hydrochloride

Systemtic Name: 2-(4-imidazol-1-ylbutoxy)benzenecarbonitrile hydrochloride Openeye Name: 2-(4-imidazol-1-ylbutoxy)benzonitrile hydrochloride CAS Name: 2-[4-(1-imidazolyl)butoxy]benzonitrile hydrochloride IUPAC Name: 2-(4-imidazol-1-ylbutoxy)benzonitrile hydrochloride Traditional Name: 2-(4-imidazol-1-ylbutoxy)benzonitrile hydrochloride Formula: C14H16ClN3O MolecularWeight: 277.74934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)OCCCCN2C=CN=C2.Cl

Isomeric SMILES

C1=CC=C(C(=C1)C#N)OCCCCN2C=CN=C2.Cl

InChI

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