ethyl 5-[[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[4-(4-methylpiperazin-1-yl)-3-nitro-benzoyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]-oxomethyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(4-methylpiperazin-1-yl)-3-nitrobenzoyl]amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[[4-(4-methylpiperazino)-3-nitro-benzoyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C27H27N7O5 MolecularWeight: 529.54718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C4=CC(=C(C=C4)N5CCN(CC5)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C4=CC(=C(C=C4)N5CCN(CC5)C)[N+](=O)[O-]

InChI

InChI=1S/C27H27N7O5/c1-3-39-27(36)20-17-28-33(24-11-9-18-6-4-5-7-21(18)29-24)25(20)30-26(35)19-8-10-22(23(16-19)34(37)38)32-14-12-31(2)13-15-32/h4-11,16-17H,3,12-15H2,1-2H3,(H,30,35)