ethyl 4-[5-[(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)carbamoyl]-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)carbamoyl]-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: ethyl 4-[5-[[4-cyano-2-(2-quinolyl)pyrazol-3-yl]carbamoyl]-1,3-dioxo-isoindolin-2-yl]benzoate CAS Name: 4-[5-[[[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]amino]-oxomethyl]-1,3-dioxo-2-isoindolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(4-cyano-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-1,3-dioxoisoindol-2-yl]benzoate Traditional Name: 4-[5-[[4-cyano-2-(2-quinolyl)pyrazol-3-yl]carbamoyl]-1,3-diketo-isoindolin-2-yl]benzoic acid ethyl ester Formula: C31H20N6O5 MolecularWeight: 556.5277

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=NN4C5=NC6=CC=CC=C6C=C5)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=NN4C5=NC6=CC=CC=C6C=C5)C#N

InChI

InChI=1S/C31H20N6O5/c1-2-42-31(41)19-7-11-22(12-8-19)36-29(39)23-13-9-20(15-24(23)30(36)40)28(38)35-27-21(16-32)17-33-37(27)26-14-10-18-5-3-4-6-25(18)34-26/h3-15,17H,2H2,1H3,(H,35,38)