[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(2-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-3-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C=CC(=O)OCC(=O)NCC#C)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2/C=C/C(=O)OCC(=O)NCC#C)C3=CC=CC=C3

InChI

InChI=1S/C24H21N3O4/c1-3-15-25-22(28)17-31-23(29)14-13-18-16-27(19-9-5-4-6-10-19)26-24(18)20-11-7-8-12-21(20)30-2/h1,4-14,16H,15,17H2,2H3,(H,25,28)/b14-13+