5-[[3-[[6-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)pyridin-3-yl]methyl]imidazol-4-yl]methyl]-2-phenyl-benzenecarbonitrile

Systemtic Name: 5-[[3-[[6-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)pyridin-3-yl]methyl]imidazol-4-yl]methyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[[3-[[6-(5-chloro-2-oxo-1-pyridyl)-3-pyridyl]methyl]imidazol-4-yl]methyl]-2-phenyl-benzonitrile CAS Name: 5-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]-4-imidazolyl]methyl]-2-phenylbenzonitrile IUPAC Name: 5-[[3-[[6-(5-chloro-2-oxopyridin-1-yl)pyridin-3-yl]methyl]imidazol-4-yl]methyl]-2-phenylbenzonitrile Traditional Name: 5-[[3-[[6-(5-chloro-2-keto-1-pyridyl)-3-pyridyl]methyl]imidazol-4-yl]methyl]-2-phenyl-benzonitrile Formula: C28H20ClN5O MolecularWeight: 477.9443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2)CC3=CN=CN3CC4=CN=C(C=C4)N5C=C(C=CC5=O)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)CC3=CN=CN3CC4=CN=C(C=C4)N5C=C(C=CC5=O)Cl)C#N

InChI

InChI=1S/C28H20ClN5O/c29-24-8-11-28(35)34(18-24)27-10-7-21(15-32-27)17-33-19-31-16-25(33)13-20-6-9-26(23(12-20)14-30)22-4-2-1-3-5-22/h1-12,15-16,18-19H,13,17H2