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

Systemtic Name: 3-[3-(3-chloranyl-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide Openeye Name: 3-[3-(3-chloro-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide CAS Name: 3-[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-(3-methoxypropyl)-2-propenamide IUPAC Name: 3-[3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide Traditional Name: 3-[3-(3-chloro-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-methoxypropyl)acrylamide Formula: C25H25ClN4O3 MolecularWeight: 464.944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN4O3/c1-3-33-23-11-10-18(15-22(23)26)24-20(17-30(29-24)21-8-5-4-6-9-21)14-19(16-27)25(31)28-12-7-13-32-2/h4-6,8-11,14-15,17H,3,7,12-13H2,1-2H3,(H,28,31)