4-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methoxy]benzenecarbonitrile

Systemtic Name: 4-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methoxy]benzenecarbonitrile Openeye Name: 4-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methoxy]benzonitrile CAS Name: 4-[[3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]methoxy]benzonitrile IUPAC Name: 4-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methoxy]benzonitrile Traditional Name: 4-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methoxy]benzonitrile Formula: C25H21N3O MolecularWeight: 379.45374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2COC3=CC=C(C=C3)C#N)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2COC3=CC=C(C=C3)C#N)C4=CC=CC=C4)C

InChI

InChI=1S/C25H21N3O/c1-18-8-11-21(14-19(18)2)25-22(16-28(27-25)23-6-4-3-5-7-23)17-29-24-12-9-20(15-26)10-13-24/h3-14,16H,17H2,1-2H3