methyl 2-[5-(cyanomethoxy)-3-methyl-1-phenyl-pyrazol-4-yl]-3,3-diphenyl-prop-2-enoate

Systemtic Name: methyl 2-[5-(cyanomethoxy)-3-methyl-1-phenyl-pyrazol-4-yl]-3,3-diphenyl-prop-2-enoate Openeye Name: methyl 2-[5-(cyanomethoxy)-3-methyl-1-phenyl-pyrazol-4-yl]-3,3-diphenyl-prop-2-enoate CAS Name: 2-[5-(cyanomethoxy)-3-methyl-1-phenyl-4-pyrazolyl]-3,3-diphenyl-2-propenoic acid methyl ester IUPAC Name: methyl 2-[5-(cyanomethoxy)-3-methyl-1-phenylpyrazol-4-yl]-3,3-diphenylprop-2-enoate Traditional Name: 2-[5-(cyanomethoxy)-3-methyl-1-phenyl-pyrazol-4-yl]-3,3-diphenyl-acrylic acid methyl ester Formula: C28H23N3O3 MolecularWeight: 449.50052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)OCC#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)OCC#N)C4=CC=CC=C4

InChI

InChI=1S/C28H23N3O3/c1-20-24(27(34-19-18-29)31(30-20)23-16-10-5-11-17-23)26(28(32)33-2)25(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17H,19H2,1-2H3