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

Systemtic Name: 4-[[4-chloranyl-2-(2-ethanoylphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[[2-(2-acetylphenyl)-4-chloro-phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[[2-(2-acetylphenyl)-4-chlorophenyl]methoxy-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[[2-(2-acetylphenyl)-4-chlorophenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[[2-(2-acetylphenyl)-4-chloro-benzyl]oxy-(3-methylimidazol-4-yl)methyl]benzonitrile Formula: C27H22ClN3O2 MolecularWeight: 455.93548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C2=C(C=CC(=C2)Cl)COC(C3=CC=C(C=C3)C#N)C4=CN=CN4C

Isomeric SMILES

CC(=O)C1=CC=CC=C1C2=C(C=CC(=C2)Cl)COC(C3=CC=C(C=C3)C#N)C4=CN=CN4C

InChI

InChI=1S/C27H22ClN3O2/c1-18(32)23-5-3-4-6-24(23)25-13-22(28)12-11-21(25)16-33-27(26-15-30-17-31(26)2)20-9-7-19(14-29)8-10-20/h3-13,15,17,27H,16H2,1-2H3