(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acrylonitrile Formula: C20H14ClN3O MolecularWeight: 347.79766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C(=O)C2=CC=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C(=O)C2=CC=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H14ClN3O/c1-14-18(20(21)24(23-14)17-10-6-3-7-11-17)12-16(13-22)19(25)15-8-4-2-5-9-15/h2-12H,1H3/b16-12+