2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-2-oxidanyl-ethanenitrile

Systemtic Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-2-oxidanyl-ethanenitrile Openeye Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-2-hydroxy-acetonitrile CAS Name: 2-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-2-hydroxyacetonitrile IUPAC Name: 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-hydroxyacetonitrile Traditional Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-2-hydroxy-acetonitrile Formula: C17H12ClN3O MolecularWeight: 309.74968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C(C#N)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C(C#N)O

InChI

InChI=1S/C17H12ClN3O/c18-13-8-6-12(7-9-13)17-15(16(22)10-19)11-21(20-17)14-4-2-1-3-5-14/h1-9,11,16,22H