2-[(6-chloranyl-4-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(6-chloranyl-4-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(6-chloro-4-oxo-2-phenyl-1H-pyrimidin-5-yl)methyl]benzonitrile CAS Name: 2-[(6-chloro-4-oxo-2-phenyl-1H-pyrimidin-5-yl)methyl]benzonitrile IUPAC Name: 2-[(6-chloro-4-oxo-2-phenyl-1H-pyrimidin-5-yl)methyl]benzonitrile Traditional Name: 2-[(6-chloro-4-keto-2-phenyl-1H-pyrimidin-5-yl)methyl]benzonitrile Formula: C18H12ClN3O MolecularWeight: 321.76038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=O)C(=C(N2)Cl)CC3=CC=CC=C3C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=O)C(=C(N2)Cl)CC3=CC=CC=C3C#N

InChI

InChI=1S/C18H12ClN3O/c19-16-15(10-13-8-4-5-9-14(13)11-20)18(23)22-17(21-16)12-6-2-1-3-7-12/h1-9H,10H2,(H,21,22,23)