(1,3-diphenylpyrazol-4-yl)methyl (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C28H21N3O2 MolecularWeight: 431.48524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)C=CC3=NC4=CC=CC=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)/C=C/C3=NC4=CC=CC=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C28H21N3O2/c32-27(18-17-24-16-15-21-9-7-8-14-26(21)29-24)33-20-23-19-31(25-12-5-2-6-13-25)30-28(23)22-10-3-1-4-11-22/h1-19H,20H2/b18-17+