5-(3-chloranyl-4-methyl-phenyl)-3-oxidanylidene-2-[1-(phenylmethyl)imidazol-2-yl]pentanenitrile

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-3-oxidanylidene-2-[1-(phenylmethyl)imidazol-2-yl]pentanenitrile Openeye Name: 2-(1-benzylimidazol-2-yl)-5-(3-chloro-4-methyl-phenyl)-3-oxo-pentanenitrile CAS Name: 5-(3-chloro-4-methylphenyl)-3-oxo-2-[1-(phenylmethyl)-2-imidazolyl]pentanenitrile IUPAC Name: 2-(1-benzylimidazol-2-yl)-5-(3-chloro-4-methylphenyl)-3-oxopentanenitrile Traditional Name: 2-(1-benzylimidazol-2-yl)-5-(3-chloro-4-methyl-phenyl)-3-keto-valeronitrile Formula: C22H20ClN3O MolecularWeight: 377.8667

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(=O)C(C#N)C2=NC=CN2CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCC(=O)C(C#N)C2=NC=CN2CC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H20ClN3O/c1-16-7-8-17(13-20(16)23)9-10-21(27)19(14-24)22-25-11-12-26(22)15-18-5-3-2-4-6-18/h2-8,11-13,19H,9-10,15H2,1H3