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

Systemtic Name: ethyl 5-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[(2-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C28H25N5O5 MolecularWeight: 511.5286

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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(=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(=O)OCC

InChI

InChI=1S/C28H25N5O5/c1-3-5-14-32-26(35)19-12-10-18(15-20(19)27(32)36)25(34)31-24-21(28(37)38-4-2)16-29-33(24)23-13-11-17-8-6-7-9-22(17)30-23/h6-13,15-16H,3-5,14H2,1-2H3,(H,31,34)