3-[3-(3-chloranyl-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: 3-[3-(3-chloranyl-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: N-benzyl-3-[3-(3-chloro-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enamide CAS Name: 3-[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: N-benzyl-3-[3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enamide Traditional Name: N-benzyl-3-[3-(3-chloro-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-acrylamide Formula: C28H23ClN4O2 MolecularWeight: 482.96082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H23ClN4O2/c1-2-35-26-14-13-21(16-25(26)29)27-23(19-33(32-27)24-11-7-4-8-12-24)15-22(17-30)28(34)31-18-20-9-5-3-6-10-20/h3-16,19H,2,18H2,1H3,(H,31,34)