2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(4-methyl-2-piperidin-1-yl-quinolin-6-yl)ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(4-methyl-2-piperidin-1-yl-quinolin-6-yl)ethanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[4-methyl-2-(1-piperidyl)-6-quinolyl]acetamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-[4-methyl-2-(1-piperidinyl)-6-quinolinyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)acetamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(4-methyl-2-piperidino-6-quinolyl)acetamide Formula: C21H23BrN6O3 MolecularWeight: 487.34972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Br)C)N4CCCCC4

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Br)C)N4CCCCC4

InChI

InChI=1S/C21H23BrN6O3/c1-13-10-18(26-8-4-3-5-9-26)24-17-7-6-15(11-16(13)17)23-19(29)12-27-14(2)20(22)21(25-27)28(30)31/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,23,29)