2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]acetamide Formula: C22H27N7O3 MolecularWeight: 437.49488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)N4CCN(CC4)C

InChI

InChI=1S/C22H27N7O3/c1-14-11-20(27-9-7-26(4)8-10-27)24-19-6-5-17(12-18(14)19)23-21(30)13-28-16(3)22(29(31)32)15(2)25-28/h5-6,11-12H,7-10,13H2,1-4H3,(H,23,30)