N'-[4-cyano-2-(2-oxidanyl-2-phenyl-ethyl)pyrazol-3-yl]-N,N-dimethyl-carbamimidoyl chloride

Systemtic Name: N'-[4-cyano-2-(2-oxidanyl-2-phenyl-ethyl)pyrazol-3-yl]-N,N-dimethyl-carbamimidoyl chloride Openeye Name: N'-[4-cyano-2-(2-hydroxy-2-phenyl-ethyl)pyrazol-3-yl]-N,N-dimethyl-carbamimidoyl chloride CAS Name: N'-[4-cyano-2-(2-hydroxy-2-phenylethyl)-3-pyrazolyl]-N,N-dimethylcarbamimidoyl chloride IUPAC Name: N'-[4-cyano-2-(2-hydroxy-2-phenylethyl)pyrazol-3-yl]-N,N-dimethylcarbamimidoyl chloride Traditional Name: N'-[4-cyano-2-(2-hydroxy-2-phenyl-ethyl)pyrazol-3-yl]-N,N-dimethyl-carbamimidoyl chloride Formula: C15H16ClN5O MolecularWeight: 317.77344

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=NC1=C(C=NN1CC(C2=CC=CC=C2)O)C#N)Cl

Isomeric SMILES

CN(C)/C(=N/C1=C(C=NN1CC(C2=CC=CC=C2)O)C#N)/Cl

InChI

InChI=1S/C15H16ClN5O/c1-20(2)15(16)19-14-12(8-17)9-18-21(14)10-13(22)11-6-4-3-5-7-11/h3-7,9,13,22H,10H2,1-2H3/b19-15+