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

Systemtic Name: (Z)-3-[3-(4-butoxy-3-chloranyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide Openeye Name: (Z)-3-[3-(4-butoxy-3-chloro-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide CAS Name: (Z)-3-[3-(4-butoxy-3-chlorophenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-(2-oxolanylmethyl)-2-propenamide IUPAC Name: (Z)-3-[3-(4-butoxy-3-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide Traditional Name: (Z)-3-[3-(4-butoxy-3-chloro-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(tetrahydrofurfuryl)acrylamide Formula: C28H29ClN4O3 MolecularWeight: 505.00786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3CCCO3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)NCC3CCCO3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H29ClN4O3/c1-2-3-13-36-26-12-11-20(16-25(26)29)27-22(19-33(32-27)23-8-5-4-6-9-23)15-21(17-30)28(34)31-18-24-10-7-14-35-24/h4-6,8-9,11-12,15-16,19,24H,2-3,7,10,13-14,18H2,1H3,(H,31,34)/b21-15-