(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-2-cyano-N-(2-ethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-2-cyano-N-(2-ethoxyphenyl)prop-2-enamide Openeye Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-2-cyano-N-(2-ethoxyphenyl)prop-2-enamide CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-cyano-N-(2-ethoxyphenyl)-2-propenamide IUPAC Name: (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-2-cyano-N-(2-ethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-2-cyano-N-o-phenetyl-acrylamide Formula: C23H21ClN4O2 MolecularWeight: 420.89144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(=CC2=C(N(N=C2C)CC3=CC=CC=C3)Cl)C#N

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)/C(=C/C2=C(N(N=C2C)CC3=CC=CC=C3)Cl)/C#N

InChI

InChI=1S/C23H21ClN4O2/c1-3-30-21-12-8-7-11-20(21)26-23(29)18(14-25)13-19-16(2)27-28(22(19)24)15-17-9-5-4-6-10-17/h4-13H,3,15H2,1-2H3,(H,26,29)/b18-13+