(E)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[3-(4-isopropoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(4-isopropoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acrylamide Formula: C33H30N6O3 MolecularWeight: 558.6297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OC(C)C)C5=CC=CC=C5)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CN(N=C3C4=CC=C(C=C4)OC(C)C)C5=CC=CC=C5)/C#N

InChI

InChI=1S/C33H30N6O3/c1-22(2)42-29-17-15-24(16-18-29)31-26(21-38(36-31)27-11-7-5-8-12-27)19-25(20-34)32(40)35-30-23(3)37(4)39(33(30)41)28-13-9-6-10-14-28/h5-19,21-22H,1-4H3,(H,35,40)/b25-19+