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

Systemtic Name: ethyl 5-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindol-5-yl]carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(2-benzyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[[1,3-dioxo-2-(phenylmethyl)-5-isoindolyl]-oxomethyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[(2-benzyl-1,3-diketo-isoindoline-5-carbonyl)amino]-1-(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)NC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)CC6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)CC6=CC=CC=C6

InChI

InChI=1S/C31H23N5O5/c1-2-41-31(40)24-17-32-36(26-15-13-20-10-6-7-11-25(20)33-26)27(24)34-28(37)21-12-14-22-23(16-21)30(39)35(29(22)38)18-19-8-4-3-5-9-19/h3-17H,2,18H2,1H3,(H,34,37)