[1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate

Systemtic Name: [1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl] 1,3-dioxo-2-phenethyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenethyl-5-isoindolecarboxylic acid [1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 1,3-dioxo-2-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C25H20ClN3O5 MolecularWeight: 477.8964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C25H20ClN3O5/c1-15(22(30)28-20-8-5-12-27-21(20)26)34-25(33)17-9-10-18-19(14-17)24(32)29(23(18)31)13-11-16-6-3-2-4-7-16/h2-10,12,14-15H,11,13H2,1H3,(H,28,30)