ethyl 5-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-pentanoyl]amino]-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-pentanoyl]amino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-(1,3-dioxoisoindolin-2-yl)-3-methyl-pentanoyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[2-(1,3-dioxo-2-isoindolyl)-3-methyl-1-oxopentyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoyl]amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[(3-methyl-2-phthalimido-pentanoyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C29H27N5O5 MolecularWeight: 525.55518

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=C(C=NN1C2=NC3=CC=CC=C3C=C2)C(=O)OCC)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCC(C)C(C(=O)NC1=C(C=NN1C2=NC3=CC=CC=C3C=C2)C(=O)OCC)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H27N5O5/c1-4-17(3)24(33-27(36)19-11-7-8-12-20(19)28(33)37)26(35)32-25-21(29(38)39-5-2)16-30-34(25)23-15-14-18-10-6-9-13-22(18)31-23/h6-17,24H,4-5H2,1-3H3,(H,32,35)