butyl (E)-2-cyano-3-[3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: butyl (E)-2-cyano-3-[3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: butyl (E)-3-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(2-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid butyl ester IUPAC Name: butyl (E)-3-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-2-cyano-acrylic acid butyl ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CC1=CN(N=C1C2=CC=CC=C2OC)CC3=CC=CC=C3)C#N

Isomeric SMILES

CCCCOC(=O)/C(=C/C1=CN(N=C1C2=CC=CC=C2OC)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C25H25N3O3/c1-3-4-14-31-25(29)20(16-26)15-21-18-28(17-19-10-6-5-7-11-19)27-24(21)22-12-8-9-13-23(22)30-2/h5-13,15,18H,3-4,14,17H2,1-2H3/b20-15+