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

Systemtic Name: N-(5-bromanylquinolin-8-yl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide Openeye Name: N-(5-bromo-8-quinolyl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide CAS Name: N-(5-bromo-8-quinolinyl)-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methylpropanamide IUPAC Name: N-(5-bromoquinolin-8-yl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanamide Traditional Name: N-(5-bromo-8-quinolyl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propionamide Formula: C18H18BrN5O3 MolecularWeight: 432.27122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)NC2=C3C(=C(C=C2)Br)C=CC=N3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(C)C(=O)NC2=C3C(=C(C=C2)Br)C=CC=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18BrN5O3/c1-10(9-23-12(3)17(24(26)27)11(2)22-23)18(25)21-15-7-6-14(19)13-5-4-8-20-16(13)15/h4-8,10H,9H2,1-3H3,(H,21,25)