N-(5-bromanylquinolin-8-yl)-2-[(2,4-dichlorophenyl)methyl]-5-nitro-pyrazole-3-carboxamide

Systemtic Name: N-(5-bromanylquinolin-8-yl)-2-[(2,4-dichlorophenyl)methyl]-5-nitro-pyrazole-3-carboxamide Openeye Name: N-(5-bromo-8-quinolyl)-2-[(2,4-dichlorophenyl)methyl]-5-nitro-pyrazole-3-carboxamide CAS Name: N-(5-bromo-8-quinolinyl)-2-[(2,4-dichlorophenyl)methyl]-5-nitro-3-pyrazolecarboxamide IUPAC Name: N-(5-bromoquinolin-8-yl)-2-[(2,4-dichlorophenyl)methyl]-5-nitropyrazole-3-carboxamide Traditional Name: N-(5-bromo-8-quinolyl)-2-(2,4-dichlorobenzyl)-5-nitro-pyrazole-3-carboxamide Formula: C20H12BrCl2N5O3 MolecularWeight: 521.15098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=C1)NC(=O)C3=CC(=NN3CC4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=C1)NC(=O)C3=CC(=NN3CC4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C20H12BrCl2N5O3/c21-14-5-6-16(19-13(14)2-1-7-24-19)25-20(29)17-9-18(28(30)31)26-27(17)10-11-3-4-12(22)8-15(11)23/h1-9H,10H2,(H,25,29)