4-[[1-[[6-(4-chloranyl-6-oxidanylidene-1H-pyridin-2-yl)pyridin-3-yl]methyl]pyrrol-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[1-[[6-(4-chloranyl-6-oxidanylidene-1H-pyridin-2-yl)pyridin-3-yl]methyl]pyrrol-2-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[1-[[6-(4-chloro-6-oxo-1H-pyridin-2-yl)-3-pyridyl]methyl]pyrrol-2-yl]methyl]benzonitrile CAS Name: 4-[[1-[[6-(4-chloro-6-oxo-1H-pyridin-2-yl)-3-pyridinyl]methyl]-2-pyrrolyl]methyl]benzonitrile IUPAC Name: 4-[[1-[[6-(4-chloro-6-oxo-1H-pyridin-2-yl)pyridin-3-yl]methyl]pyrrol-2-yl]methyl]benzonitrile Traditional Name: 4-[[1-[[6-(4-chloro-6-keto-1H-pyridin-2-yl)-3-pyridyl]methyl]pyrrol-2-yl]methyl]benzonitrile Formula: C23H17ClN4O MolecularWeight: 400.86028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)CC2=CC=C(C=C2)C#N)CC3=CN=C(C=C3)C4=CC(=CC(=O)N4)Cl

Isomeric SMILES

C1=CN(C(=C1)CC2=CC=C(C=C2)C#N)CC3=CN=C(C=C3)C4=CC(=CC(=O)N4)Cl

InChI

InChI=1S/C23H17ClN4O/c24-19-11-22(27-23(29)12-19)21-8-7-18(14-26-21)15-28-9-1-2-20(28)10-16-3-5-17(13-25)6-4-16/h1-9,11-12,14H,10,15H2,(H,27,29)