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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Br)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Br)Cl)OC

InChI

InChI=1S/C21H21BrClN3O4/c1-28-19-5-3-14(11-20(19)29-2)7-9-24-21(27)17-8-10-26(25-17)13-30-18-6-4-15(22)12-16(18)23/h3-6,8,10-12H,7,9,13H2,1-2H3,(H,24,27)