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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C25H24N4O5/c1-3-34-25(33)21-15(2)26-18-11-6-7-12-19(18)27-22(21)28-20(30)13-8-14-29-23(31)16-9-4-5-10-17(16)24(29)32/h4-7,9-12,26H,3,8,13-14H2,1-2H3,(H,27,28,30)