2-[5-(4-bromophenyl)-2-(4-methoxyphenyl)pyrazol-3-yl]ethanenitrile

Systemtic Name: 2-[5-(4-bromophenyl)-2-(4-methoxyphenyl)pyrazol-3-yl]ethanenitrile Openeye Name: 2-[5-(4-bromophenyl)-2-(4-methoxyphenyl)pyrazol-3-yl]acetonitrile CAS Name: 2-[5-(4-bromophenyl)-2-(4-methoxyphenyl)-3-pyrazolyl]acetonitrile IUPAC Name: 2-[5-(4-bromophenyl)-2-(4-methoxyphenyl)pyrazol-3-yl]acetonitrile Traditional Name: 2-[5-(4-bromophenyl)-2-(4-methoxyphenyl)pyrazol-3-yl]acetonitrile Formula: C18H14BrN3O MolecularWeight: 368.22726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN3O/c1-23-17-8-6-15(7-9-17)22-16(10-11-20)12-18(21-22)13-2-4-14(19)5-3-13/h2-9,12H,10H2,1H3