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

Systemtic Name: ethyl 5-[[1,3-bis(oxidanylidene)-2-phenyl-isoindol-5-yl]carbonylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(1,3-dioxo-2-phenyl-isoindoline-5-carbonyl)amino]-1-(4-methyl-2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(1,3-dioxo-2-phenyl-5-isoindolyl)-oxomethyl]amino]-1-(4-methyl-2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1,3-dioxo-2-phenylisoindole-5-carbonyl)amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate Traditional Name: 5-[(1,3-diketo-2-phenyl-isoindoline-5-carbonyl)amino]-1-(4-methyl-2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C31H23N5O5 MolecularWeight: 545.54482

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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=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C(=C2)C)NC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=CC=C6

InChI

InChI=1S/C31H23N5O5/c1-3-41-31(40)24-17-32-36(26-15-18(2)21-11-7-8-12-25(21)33-26)27(24)34-28(37)19-13-14-22-23(16-19)30(39)35(29(22)38)20-9-5-4-6-10-20/h4-17H,3H2,1-2H3,(H,34,37)