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

Systemtic Name: ethyl 1-(4-methylquinolin-2-yl)-5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-methyl-2-quinolyl)-5-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]pyrazole-4-carboxylate CAS Name: 1-(4-methyl-2-quinolinyl)-5-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylquinolin-2-yl)-5-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]pyrazole-4-carboxylate Traditional Name: 1-(4-methyl-2-quinolyl)-5-[(3-nitro-4-pyrrolidino-benzoyl)amino]pyrazole-4-carboxylic acid ethyl ester Formula: C27H26N6O5 MolecularWeight: 514.53254

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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)N5CCCC5)[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)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N6O5/c1-3-38-27(35)20-16-28-32(24-14-17(2)19-8-4-5-9-21(19)29-24)25(20)30-26(34)18-10-11-22(23(15-18)33(36)37)31-12-6-7-13-31/h4-5,8-11,14-16H,3,6-7,12-13H2,1-2H3,(H,30,34)