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

Systemtic Name: 4-[1-(4-cyanophenyl)-4-[3-(phenylmethyl)imidazol-4-yl]but-1-enyl]benzenecarbonitrile hydrochloride Openeye Name: 4-[4-(3-benzylimidazol-4-yl)-1-(4-cyanophenyl)but-1-enyl]benzonitrile hydrochloride CAS Name: 4-[1-(4-cyanophenyl)-4-[3-(phenylmethyl)-4-imidazolyl]but-1-enyl]benzonitrile hydrochloride IUPAC Name: 4-[4-(3-benzylimidazol-4-yl)-1-(4-cyanophenyl)but-1-enyl]benzonitrile hydrochloride Traditional Name: 4-[4-(3-benzylimidazol-4-yl)-1-(4-cyanophenyl)but-1-enyl]benzonitrile hydrochloride Formula: C28H23ClN4 MolecularWeight: 450.96202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC=C2CCC=C(C3=CC=C(C=C3)C#N)C4=CC=C(C=C4)C#N.Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC=C2CCC=C(C3=CC=C(C=C3)C#N)C4=CC=C(C=C4)C#N.Cl

InChI

InChI=1S/C28H22N4.ClH/c29-17-22-9-13-25(14-10-22)28(26-15-11-23(18-30)12-16-26)8-4-7-27-19-31-21-32(27)20-24-5-2-1-3-6-24;/h1-3,5-6,8-16,19,21H,4,7,20H2;1H