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

Systemtic Name: (E)-3-[3-(3-chloranyl-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide Openeye Name: (E)-3-[3-(3-chloro-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide CAS Name: (E)-3-[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-(2-oxolanylmethyl)-2-propenamide IUPAC Name: (E)-3-[3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide Traditional Name: (E)-3-[3-(3-chloro-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(tetrahydrofurfuryl)acrylamide Formula: C26H25ClN4O3 MolecularWeight: 476.9547

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)NCC3CCCO3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC3CCCO3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C26H25ClN4O3/c1-2-33-24-11-10-18(14-23(24)27)25-20(17-31(30-25)21-7-4-3-5-8-21)13-19(15-28)26(32)29-16-22-9-6-12-34-22/h3-5,7-8,10-11,13-14,17,22H,2,6,9,12,16H2,1H3,(H,29,32)/b19-13+