4-[(E)-4-phenyl-1-[3-(phenylmethyl)imidazol-4-yl]but-1-enyl]benzenecarbonitrile hydrochloride

Systemtic Name: 4-[(E)-4-phenyl-1-[3-(phenylmethyl)imidazol-4-yl]but-1-enyl]benzenecarbonitrile hydrochloride Openeye Name: 4-[(E)-1-(3-benzylimidazol-4-yl)-4-phenyl-but-1-enyl]benzonitrile hydrochloride CAS Name: 4-[(E)-4-phenyl-1-[3-(phenylmethyl)-4-imidazolyl]but-1-enyl]benzonitrile hydrochloride IUPAC Name: 4-[(E)-1-(3-benzylimidazol-4-yl)-4-phenylbut-1-enyl]benzonitrile hydrochloride Traditional Name: 4-[(E)-1-(3-benzylimidazol-4-yl)-4-phenyl-but-1-enyl]benzonitrile hydrochloride Formula: C27H24ClN3 MolecularWeight: 425.95256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC=C(C2=CC=C(C=C2)C#N)C3=CN=CN3CC4=CC=CC=C4.Cl

Isomeric SMILES

C1=CC=C(C=C1)CC/C=C(\C2=CC=C(C=C2)C#N)/C3=CN=CN3CC4=CC=CC=C4.Cl

InChI

InChI=1S/C27H23N3.ClH/c28-18-23-14-16-25(17-15-23)26(13-7-12-22-8-3-1-4-9-22)27-19-29-21-30(27)20-24-10-5-2-6-11-24;/h1-6,8-11,13-17,19,21H,7,12,20H2;1H/b26-13+;