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

Systemtic Name: (E)-3-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide Openeye Name: (E)-3-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide CAS Name: (E)-3-[3-(4-butoxyphenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-(4-ethoxyphenyl)-2-propenamide IUPAC Name: (E)-3-[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-p-phenetyl-acrylamide Formula: C31H30N4O3 MolecularWeight: 506.5949

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3=CC=C(C=C3)OCC)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)OCC)C4=CC=CC=C4

InChI

InChI=1S/C31H30N4O3/c1-3-5-19-38-29-15-11-23(12-16-29)30-25(22-35(34-30)27-9-7-6-8-10-27)20-24(21-32)31(36)33-26-13-17-28(18-14-26)37-4-2/h6-18,20,22H,3-5,19H2,1-2H3,(H,33,36)/b24-20+