3-[4-(2-methylpropoxy)phenyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 3-[4-(2-methylpropoxy)phenyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-(4-isobutoxyphenyl)-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-[4-(2-methylpropoxy)phenyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-(4-isobutoxyphenyl)-1-phenyl-pyrazole-4-carbonitrile Formula: C20H19N3O MolecularWeight: 317.38436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C2=NN(C=C2C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C2=NN(C=C2C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O/c1-15(2)14-24-19-10-8-16(9-11-19)20-17(12-21)13-23(22-20)18-6-4-3-5-7-18/h3-11,13,15H,14H2,1-2H3