N-[2,6-bis(chloranyl)phenyl]-1-[(4-bromanylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[2,6-bis(chloranyl)phenyl]-1-[(4-bromanylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenoxy)methyl]-N-(2,6-dichlorophenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenoxy)methyl]-N-(2,6-dichlorophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenoxy)methyl]-N-(2,6-dichlorophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromophenoxy)methyl]-N-(2,6-dichlorophenyl)pyrazole-3-carboxamide Formula: C17H12BrCl2N3O2 MolecularWeight: 441.10608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrCl2N3O2/c18-11-4-6-12(7-5-11)25-10-23-9-8-15(22-23)17(24)21-16-13(19)2-1-3-14(16)20/h1-9H,10H2,(H,21,24)