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

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

Isomeric SMILES

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

InChI

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