methyl 5-[[4-chloranyl-3,5-bis(4-methylphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-chloranyl-3,5-bis(4-methylphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-chloro-3,5-bis(p-tolyl)pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-chloro-3,5-bis(4-methylphenyl)-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-chloro-3,5-bis(p-tolyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C24H21ClN2O3 MolecularWeight: 420.88814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NN2CC3=CC=C(O3)C(=O)OC)C4=CC=C(C=C4)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NN2CC3=CC=C(O3)C(=O)OC)C4=CC=C(C=C4)C)Cl

InChI

InChI=1S/C24H21ClN2O3/c1-15-4-8-17(9-5-15)22-21(25)23(18-10-6-16(2)7-11-18)27(26-22)14-19-12-13-20(30-19)24(28)29-3/h4-13H,14H2,1-3H3