(E)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(4-ethylphenyl)prop-2-enamide

Systemtic Name: (E)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(4-ethylphenyl)prop-2-enamide Openeye Name: (E)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(4-ethylphenyl)prop-2-enamide CAS Name: (E)-3-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-(4-ethylphenyl)-2-propenamide IUPAC Name: (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(4-ethylphenyl)prop-2-enamide Traditional Name: (E)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(4-ethylphenyl)acrylamide Formula: C27H21ClN4O MolecularWeight: 452.93484

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C27H21ClN4O/c1-2-19-8-14-24(15-9-19)30-27(33)21(17-29)16-22-18-32(25-6-4-3-5-7-25)31-26(22)20-10-12-23(28)13-11-20/h3-16,18H,2H2,1H3,(H,30,33)/b21-16+