1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]-N-(5-bromanylquinolin-8-yl)pyrazole-3-carboxamide

Systemtic Name: 1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]-N-(5-bromanylquinolin-8-yl)pyrazole-3-carboxamide Openeye Name: 1-[(2-bromo-4-chloro-phenoxy)methyl]-N-(5-bromo-8-quinolyl)pyrazole-3-carboxamide CAS Name: 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(5-bromo-8-quinolinyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(5-bromoquinolin-8-yl)pyrazole-3-carboxamide Traditional Name: 1-[(2-bromo-4-chloro-phenoxy)methyl]-N-(5-bromo-8-quinolyl)pyrazole-3-carboxamide Formula: C20H13Br2ClN4O2 MolecularWeight: 536.60382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=C1)NC(=O)C3=NN(C=C3)COC4=C(C=C(C=C4)Cl)Br)Br

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=C1)NC(=O)C3=NN(C=C3)COC4=C(C=C(C=C4)Cl)Br)Br

InChI

InChI=1S/C20H13Br2ClN4O2/c21-14-4-5-16(19-13(14)2-1-8-24-19)25-20(28)17-7-9-27(26-17)11-29-18-6-3-12(23)10-15(18)22/h1-10H,11H2,(H,25,28)