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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]acetamide Formula: C25H27N9O3 MolecularWeight: 501.54038

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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)C5=NC=CC=N5

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H27N9O3/c1-16-13-22(31-9-11-32(12-10-31)25-26-7-4-8-27-25)29-21-6-5-19(14-20(16)21)28-23(35)15-33-18(3)24(34(36)37)17(2)30-33/h4-8,13-14H,9-12,15H2,1-3H3,(H,28,35)