4-[[3-[(2-butyl-4-phenyl-phenyl)methyl]imidazol-4-yl]methyl]benzenecarbonitrile hydrochloride

Systemtic Name: 4-[[3-[(2-butyl-4-phenyl-phenyl)methyl]imidazol-4-yl]methyl]benzenecarbonitrile hydrochloride Openeye Name: 4-[[3-[(2-butyl-4-phenyl-phenyl)methyl]imidazol-4-yl]methyl]benzonitrile hydrochloride CAS Name: 4-[[3-[(2-butyl-4-phenylphenyl)methyl]-4-imidazolyl]methyl]benzonitrile hydrochloride IUPAC Name: 4-[[3-[(2-butyl-4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzonitrile hydrochloride Traditional Name: 4-[[3-(2-butyl-4-phenyl-benzyl)imidazol-4-yl]methyl]benzonitrile hydrochloride Formula: C28H28ClN3 MolecularWeight: 441.99502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)C2=CC=CC=C2)CN3C=NC=C3CC4=CC=C(C=C4)C#N.Cl

Isomeric SMILES

CCCCC1=C(C=CC(=C1)C2=CC=CC=C2)CN3C=NC=C3CC4=CC=C(C=C4)C#N.Cl

InChI

InChI=1S/C28H27N3.ClH/c1-2-3-7-25-17-26(24-8-5-4-6-9-24)14-15-27(25)20-31-21-30-19-28(31)16-22-10-12-23(18-29)13-11-22;/h4-6,8-15,17,19,21H,2-3,7,16,20H2,1H3;1H