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

Systemtic Name: methyl 1-[[4-chloranyl-3,5-bis(4-fluorophenyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylate Openeye Name: methyl 1-[[4-chloro-3,5-bis(4-fluorophenyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylate CAS Name: 1-[[4-chloro-3,5-bis(4-fluorophenyl)-1-pyrazolyl]methyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-chloro-3,5-bis(4-fluorophenyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylate Traditional Name: 1-[[4-chloro-3,5-bis(4-fluorophenyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylic acid methyl ester Formula: C21H15ClF2N4O2 MolecularWeight: 428.819206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=C1)CN2C(=C(C(=N2)C3=CC=C(C=C3)F)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=NN(C=C1)CN2C(=C(C(=N2)C3=CC=C(C=C3)F)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15ClF2N4O2/c1-30-21(29)17-10-11-27(25-17)12-28-20(14-4-8-16(24)9-5-14)18(22)19(26-28)13-2-6-15(23)7-3-13/h2-11H,12H2,1H3