2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]ethanenitrile

Systemtic Name: 2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]ethanenitrile Openeye Name: 2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetonitrile CAS Name: 2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-pyrazolyl]acetonitrile IUPAC Name: 2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetonitrile Traditional Name: 2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetonitrile Formula: C18H14ClN3O MolecularWeight: 323.77626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CC#N

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CC#N

InChI

InChI=1S/C18H14ClN3O/c1-23-17-8-6-16(7-9-17)22-12-14(10-11-20)18(21-22)13-2-4-15(19)5-3-13/h2-9,12H,10H2,1H3