propan-2-yl (E)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: propan-2-yl (E)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: isopropyl (E)-3-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-3-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-2-cyano-acrylic acid isopropyl ester Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=CC1=CN(N=C1C2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)OC(=O)/C(=C/C1=CN(N=C1C2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C25H25N3O4/c1-17(2)32-25(29)20(14-26)12-21-16-28(15-18-8-6-5-7-9-18)27-24(21)19-10-11-22(30-3)23(13-19)31-4/h5-13,16-17H,15H2,1-4H3/b20-12+