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

Systemtic Name: ethyl 1-(4-methylquinolin-2-yl)-5-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-methyl-2-quinolyl)-5-[(4-morpholino-3-nitro-benzoyl)amino]pyrazole-4-carboxylate CAS Name: 1-(4-methyl-2-quinolinyl)-5-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylquinolin-2-yl)-5-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]pyrazole-4-carboxylate Traditional Name: 1-(4-methyl-2-quinolyl)-5-[(4-morpholino-3-nitro-benzoyl)amino]pyrazole-4-carboxylic acid ethyl ester Formula: C27H26N6O6 MolecularWeight: 530.53194

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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)N5CCOCC5)[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)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N6O6/c1-3-39-27(35)20-16-28-32(24-14-17(2)19-6-4-5-7-21(19)29-24)25(20)30-26(34)18-8-9-22(23(15-18)33(36)37)31-10-12-38-13-11-31/h4-9,14-16H,3,10-13H2,1-2H3,(H,30,34)