2-[5-chloranyl-3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]ethanenitrile

Systemtic Name: 2-[5-chloranyl-3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]ethanenitrile Openeye Name: 2-[5-chloro-1-phenyl-3-(p-tolyl)pyrazol-4-yl]acetonitrile CAS Name: 2-[5-chloro-3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]acetonitrile IUPAC Name: 2-[5-chloro-3-(4-methylphenyl)-1-phenylpyrazol-4-yl]acetonitrile Traditional Name: 2-[5-chloro-1-phenyl-3-(p-tolyl)pyrazol-4-yl]acetonitrile Formula: C18H14ClN3 MolecularWeight: 307.77686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2CC#N)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2CC#N)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H14ClN3/c1-13-7-9-14(10-8-13)17-16(11-12-20)18(19)22(21-17)15-5-3-2-4-6-15/h2-10H,11H2,1H3