(E)-2-(4-chlorophenyl)carbonyl-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(4-chlorophenyl)carbonyl-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(4-chlorobenzoyl)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-[(4-chlorophenyl)-oxomethyl]-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(4-chlorobenzoyl)-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-(4-chlorobenzoyl)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]acrylonitrile Formula: C22H15ClN4O MolecularWeight: 386.8337

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)C3=CC=C(C=C3)Cl)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C22H15ClN4O/c23-20-9-7-17(8-10-20)22(28)18(14-25)13-19-15-27(12-4-11-24)26-21(19)16-5-2-1-3-6-16/h1-3,5-10,13,15H,4,12H2/b18-13+