2-(1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium-4-yl)oxy-2-phenyl-ethanenitrile

Systemtic Name: 2-(1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium-4-yl)oxy-2-phenyl-ethanenitrile Openeye Name: 2-(1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium-4-yl)oxy-2-phenyl-acetonitrile CAS Name: 2-[(1,2-dimethyl-3,5-diphenyl-4-pyrazol-2-iumyl)oxy]-2-phenylacetonitrile IUPAC Name: 2-(1,2-dimethyl-3,5-diphenylpyrazol-2-ium-4-yl)oxy-2-phenylacetonitrile Traditional Name: 2-(1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium-4-yl)oxy-2-phenyl-acetonitrile Formula: C25H22N3O+ MolecularWeight: 380.46168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=[N+]1C)C2=CC=CC=C2)OC(C#N)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=C(C(=[N+]1C)C2=CC=CC=C2)OC(C#N)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N3O/c1-27-23(20-14-8-4-9-15-20)25(24(28(27)2)21-16-10-5-11-17-21)29-22(18-26)19-12-6-3-7-13-19/h3-17,22H,1-2H3/q+1