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

Systemtic Name: 4-[[4-chloranyl-2-(4-ethanoylphenyl)phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[[2-(4-acetylphenyl)-4-chloro-phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[[2-(4-acetylphenyl)-4-chlorophenyl]methoxy-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[[2-(4-acetylphenyl)-4-chlorophenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[[2-(4-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=C(C=C1)C2=C(C=CC(=C2)Cl)COC(C3=CC=C(C=C3)C#N)C4=CN=CN4C

Isomeric SMILES

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

InChI

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