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

Systemtic Name: 4-[[5-[[6-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)pyridin-3-yl]-oxidanyl-methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[6-(5-chloro-2-oxo-1-pyridyl)-3-pyridyl]-hydroxy-methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[6-(5-chloro-2-oxopyridin-1-yl)pyridin-3-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[6-(5-chloro-2-keto-1-pyridyl)-3-pyridyl]-hydroxy-methyl]imidazol-1-yl]methyl]benzonitrile Formula: C22H16ClN5O2 MolecularWeight: 417.84774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC=C2C(C3=CN=C(C=C3)N4C=C(C=CC4=O)Cl)O)C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC=C2C(C3=CN=C(C=C3)N4C=C(C=CC4=O)Cl)O)C#N

InChI

InChI=1S/C22H16ClN5O2/c23-18-6-8-21(29)28(13-18)20-7-5-17(10-26-20)22(30)19-11-25-14-27(19)12-16-3-1-15(9-24)2-4-16/h1-8,10-11,13-14,22,30H,12H2