2-(4-chloranylphenoxy)-4-(imidazol-1-ylmethyl)benzenecarbonitrile hydrochloride

Systemtic Name: 2-(4-chloranylphenoxy)-4-(imidazol-1-ylmethyl)benzenecarbonitrile hydrochloride Openeye Name: 2-(4-chlorophenoxy)-4-(imidazol-1-ylmethyl)benzonitrile hydrochloride CAS Name: 2-(4-chlorophenoxy)-4-(1-imidazolylmethyl)benzonitrile hydrochloride IUPAC Name: 2-(4-chlorophenoxy)-4-(imidazol-1-ylmethyl)benzonitrile hydrochloride Traditional Name: 2-(4-chlorophenoxy)-4-(imidazol-1-ylmethyl)benzonitrile hydrochloride Formula: C17H13Cl2N3O MolecularWeight: 346.21062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=C(C=CC(=C2)CN3C=CN=C3)C#N)Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1OC2=C(C=CC(=C2)CN3C=CN=C3)C#N)Cl.Cl

InChI

InChI=1S/C17H12ClN3O.ClH/c18-15-3-5-16(6-4-15)22-17-9-13(1-2-14(17)10-19)11-21-8-7-20-12-21;/h1-9,12H,11H2;1H