N-(5-bromanylquinolin-8-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-(5-bromanylquinolin-8-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-(5-bromo-8-quinolyl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-(5-bromo-8-quinolinyl)-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(5-bromoquinolin-8-yl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-(5-bromo-8-quinolyl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C17H16BrN5O3 MolecularWeight: 418.24464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C2C(=C(C=C1)Br)C=CC=N2)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=C2C(=C(C=C1)Br)C=CC=N2)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C17H16BrN5O3/c1-3-14(22-10(2)9-15(21-22)23(25)26)17(24)20-13-7-6-12(18)11-5-4-8-19-16(11)13/h4-9,14H,3H2,1-2H3,(H,20,24)