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

Systemtic Name: ethyl 5-[[1,3-bis(oxidanylidene)-2-phenethyl-isoindol-5-yl]carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(1,3-dioxo-2-phenethyl-isoindoline-5-carbonyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(1,3-dioxo-2-phenethyl-5-isoindolyl)-oxomethyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1,3-dioxo-2-phenethylisoindole-5-carbonyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[(1,3-diketo-2-phenethyl-isoindoline-5-carbonyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C32H25N5O5 MolecularWeight: 559.5714

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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)CCC6=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)CCC6=CC=CC=C6

InChI

InChI=1S/C32H25N5O5/c1-2-42-32(41)25-19-33-37(27-15-13-21-10-6-7-11-26(21)34-27)28(25)35-29(38)22-12-14-23-24(18-22)31(40)36(30(23)39)17-16-20-8-4-3-5-9-20/h3-15,18-19H,2,16-17H2,1H3,(H,35,38)