N-[4-bromanyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-[4-bromanyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-[4-bromo-1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-[4-bromo-1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide Formula: C21H16BrClFN5O2 MolecularWeight: 504.739443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)NC3=NN(C=C3Br)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)NC3=NN(C=C3Br)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H16BrClFN5O2/c1-31-13-5-2-4-12(8-13)18-9-19(27-26-18)21(30)25-20-15(22)11-29(28-20)10-14-16(23)6-3-7-17(14)24/h2-9,11H,10H2,1H3,(H,26,27)(H,25,28,30)