1-[(4-bromanyl-2-chloranyl-phenoxy)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanyl-2-chloranyl-phenoxy)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromo-2-chloro-phenoxy)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromo-2-chloro-phenoxy)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazole-3-carboxamide Formula: C21H21BrClN3O4 MolecularWeight: 494.76614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C21H21BrClN3O4/c1-13(16-11-15(28-2)5-7-19(16)29-3)24-21(27)18-8-9-26(25-18)12-30-20-6-4-14(22)10-17(20)23/h4-11,13H,12H2,1-3H3,(H,24,27)