N-(5-bromanylquinolin-8-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-(5-bromanylquinolin-8-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(5-bromo-8-quinolyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-(5-bromo-8-quinolinyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(5-bromoquinolin-8-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide Traditional Name: N-(5-bromo-8-quinolyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propionamide Formula: C17H16BrN5O3 MolecularWeight: 418.24464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NC2=C3C(=C(C=C2)Br)C=CC=N3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)NC2=C3C(=C(C=C2)Br)C=CC=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrN5O3/c1-9-16(23(25)26)10(2)22(21-9)11(3)17(24)20-14-7-6-13(18)12-5-4-8-19-15(12)14/h4-8,11H,1-3H3,(H,20,24)