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

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-3-pyrazolecarboxylic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C25H21ClN4O5 MolecularWeight: 492.91104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN(N=C2C(=O)OCC(=O)NC3=C(N=CC=C3)Cl)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN(N=C2C(=O)OCC(=O)NC3=C(N=CC=C3)Cl)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H21ClN4O5/c1-33-20-11-10-16(13-21(20)34-2)18-14-30(17-7-4-3-5-8-17)29-23(18)25(32)35-15-22(31)28-19-9-6-12-27-24(19)26/h3-14H,15H2,1-2H3,(H,28,31)