2-[5-bromanyl-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]ethanenitrile

Systemtic Name: 2-[5-bromanyl-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]ethanenitrile Openeye Name: 2-[5-bromo-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]acetonitrile CAS Name: 2-[5-bromo-1-[4-(3-methoxyphenyl)phenyl]-4-pyrazolyl]acetonitrile IUPAC Name: 2-[5-bromo-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]acetonitrile Traditional Name: 2-[5-bromo-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]acetonitrile Formula: C18H14BrN3O MolecularWeight: 368.22726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC=C(C=C2)N3C(=C(C=N3)CC#N)Br

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)N3C(=C(C=N3)CC#N)Br

InChI

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