methyl 1-[[4-chloranyl-3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylate

Systemtic Name: methyl 1-[[4-chloranyl-3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylate Openeye Name: methyl 1-[[4-chloro-3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylate CAS Name: 1-[[4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1-pyrazolyl]methyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-chloro-3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylate Traditional Name: 1-[[4-chloro-3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylic acid methyl ester Formula: C25H25ClN4O6 MolecularWeight: 512.9422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=NN2CN3C=CC(=N3)C(=O)OC)C4=CC(=C(C=C4)OC)OC)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=NN2CN3C=CC(=N3)C(=O)OC)C4=CC(=C(C=C4)OC)OC)Cl)OC

InChI

InChI=1S/C25H25ClN4O6/c1-32-18-8-6-15(12-20(18)34-3)23-22(26)24(16-7-9-19(33-2)21(13-16)35-4)30(28-23)14-29-11-10-17(27-29)25(31)36-5/h6-13H,14H2,1-5H3