1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,5-bis(3,4-dimethoxyphenyl)-4-ethyl-pyrazole

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,5-bis(3,4-dimethoxyphenyl)-4-ethyl-pyrazole Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-3,5-bis(3,4-dimethoxyphenyl)-4-ethyl-pyrazole CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3,5-bis(3,4-dimethoxyphenyl)-4-ethylpyrazole IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3,5-bis(3,4-dimethoxyphenyl)-4-ethylpyrazole Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-3,5-bis(3,4-dimethoxyphenyl)-4-ethyl-pyrazole Formula: C28H28ClFN2O4 MolecularWeight: 510.984323

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(N=C1C2=CC(=C(C=C2)OC)OC)CC3=C(C=CC=C3Cl)F)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1=C(N(N=C1C2=CC(=C(C=C2)OC)OC)CC3=C(C=CC=C3Cl)F)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H28ClFN2O4/c1-6-19-27(17-10-12-23(33-2)25(14-17)35-4)31-32(16-20-21(29)8-7-9-22(20)30)28(19)18-11-13-24(34-3)26(15-18)36-5/h7-15H,6,16H2,1-5H3