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

Systemtic Name: 2-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]ethanenitrile Openeye Name: 2-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]acetonitrile CAS Name: 2-[3-(4-butoxyphenyl)-1-phenyl-4-pyrazolyl]acetonitrile IUPAC Name: 2-[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]acetonitrile Traditional Name: 2-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]acetonitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN(C=C2CC#N)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN(C=C2CC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O/c1-2-3-15-25-20-11-9-17(10-12-20)21-18(13-14-22)16-24(23-21)19-7-5-4-6-8-19/h4-12,16H,2-3,13,15H2,1H3