4-[[4-chloranyl-2-(3-ethoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-chloranyl-2-(3-ethoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[[4-chloro-2-(3-ethoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[[4-chloro-2-(3-ethoxyphenyl)phenyl]methoxy-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[[4-chloro-2-(3-ethoxyphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[(4-chloro-2-m-phenetyl-benzyl)oxy-(3-methylimidazol-4-yl)methyl]benzonitrile Formula: C27H24ClN3O2 MolecularWeight: 457.95136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=C(C=CC(=C2)Cl)COC(C3=CC=C(C=C3)C#N)C4=CN=CN4C

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=C(C=CC(=C2)Cl)COC(C3=CC=C(C=C3)C#N)C4=CN=CN4C

InChI

InChI=1S/C27H24ClN3O2/c1-3-32-24-6-4-5-21(13-24)25-14-23(28)12-11-22(25)17-33-27(26-16-30-18-31(26)2)20-9-7-19(15-29)8-10-20/h4-14,16,18,27H,3,17H2,1-2H3