[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)NC3CC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)NC3CC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H25N3O5/c1-31-21-12-8-17(14-22(21)32-2)25-18(15-28(27-25)20-6-4-3-5-7-20)9-13-24(30)33-16-23(29)26-19-10-11-19/h3-9,12-15,19H,10-11,16H2,1-2H3,(H,26,29)