methyl (E)-2-cyano-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[3-(4-isopropoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)-4-pyrazolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-(4-isopropoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid methyl ester Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H21N3O3/c1-16(2)29-21-11-9-17(10-12-21)22-19(13-18(14-24)23(27)28-3)15-26(25-22)20-7-5-4-6-8-20/h4-13,15-16H,1-3H3/b18-13+