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

Systemtic Name: ethyl 5-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-(4-phthalimidobutanoylamino)-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C27H23N5O5 MolecularWeight: 497.50202

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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)CCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)CCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H23N5O5/c1-2-37-27(36)20-16-28-32(22-14-13-17-8-3-6-11-21(17)29-22)24(20)30-23(33)12-7-15-31-25(34)18-9-4-5-10-19(18)26(31)35/h3-6,8-11,13-14,16H,2,7,12,15H2,1H3,(H,30,33)