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

Systemtic Name: 4-(imidazol-1-ylmethyl)-2-(1-phenylbutoxy)benzenecarbonitrile hydrochloride Openeye Name: 4-(imidazol-1-ylmethyl)-2-(1-phenylbutoxy)benzonitrile hydrochloride CAS Name: 4-(1-imidazolylmethyl)-2-(1-phenylbutoxy)benzonitrile hydrochloride IUPAC Name: 4-(imidazol-1-ylmethyl)-2-(1-phenylbutoxy)benzonitrile hydrochloride Traditional Name: 4-(imidazol-1-ylmethyl)-2-(1-phenylbutoxy)benzonitrile hydrochloride Formula: C21H22ClN3O MolecularWeight: 367.87188

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)OC2=C(C=CC(=C2)CN3C=CN=C3)C#N.Cl

Isomeric SMILES

CCCC(C1=CC=CC=C1)OC2=C(C=CC(=C2)CN3C=CN=C3)C#N.Cl

InChI

InChI=1S/C21H21N3O.ClH/c1-2-6-20(18-7-4-3-5-8-18)25-21-13-17(9-10-19(21)14-22)15-24-12-11-23-16-24;/h3-5,7-13,16,20H,2,6,15H2,1H3;1H