ethyl 5-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-1-(4-methyl-2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]-1-(4-methyl-2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate Traditional Name: 5-[(2-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]-1-(4-methyl-2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C29H27N5O5 MolecularWeight: 525.55518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=NN3C4=NC5=CC=CC=C5C(=C4)C)C(=O)OCC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=NN3C4=NC5=CC=CC=C5C(=C4)C)C(=O)OCC

InChI

InChI=1S/C29H27N5O5/c1-4-6-13-33-27(36)20-12-11-18(15-21(20)28(33)37)26(35)32-25-22(29(38)39-5-2)16-30-34(25)24-14-17(3)19-9-7-8-10-23(19)31-24/h7-12,14-16H,4-6,13H2,1-3H3,(H,32,35)