ethyl 4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[2-(1,3-dioxoisoindolin-2-yl)propanoylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[2-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-(2-phthalimidopropanoylamino)-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C25H24N4O5 MolecularWeight: 460.48186

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O)C(=O)OCC

InChI

InChI=1S/C25H24N4O5/c1-4-17-20(25(33)34-5-2)21(27-19-13-9-8-12-18(19)26-17)28-22(30)14(3)29-23(31)15-10-6-7-11-16(15)24(29)32/h6-14,26H,4-5H2,1-3H3,(H,27,28,30)