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

Systemtic Name: ethyl 5-[[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]carbonylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[[4-(4-methylpiperazin-1-yl)-3-nitro-benzoyl]amino]-1-(4-methyl-2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]-oxomethyl]amino]-1-(4-methyl-2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(4-methylpiperazin-1-yl)-3-nitrobenzoyl]amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate Traditional Name: 5-[[4-(4-methylpiperazino)-3-nitro-benzoyl]amino]-1-(4-methyl-2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C28H29N7O5 MolecularWeight: 543.57376

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H29N7O5/c1-4-40-28(37)21-17-29-34(25-15-18(2)20-7-5-6-8-22(20)30-25)26(21)31-27(36)19-9-10-23(24(16-19)35(38)39)33-13-11-32(3)12-14-33/h5-10,15-17H,4,11-14H2,1-3H3,(H,31,36)