[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5/c1-29-19-11-8-15(12-20(19)30-2)22-18(13-26(25-22)17-6-4-3-5-7-17)23(28)31-14-21(27)24-16-9-10-16/h3-8,11-13,16H,9-10,14H2,1-2H3,(H,24,27)