ethyl 4-[3-(furan-2-ylcarbonylamino)propanoylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-[3-(furan-2-ylcarbonylamino)propanoylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[3-(furan-2-carbonylamino)propanoylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[3-[[2-furanyl(oxo)methyl]amino]-1-oxopropyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(furan-2-carbonylamino)propanoylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[3-(2-furoylamino)propanoylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)CCNC(=O)C3=CC=CO3)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)CCNC(=O)C3=CC=CO3)C

InChI

InChI=1S/C21H22N4O5/c1-3-29-21(28)18-13(2)23-14-7-4-5-8-15(14)24-19(18)25-17(26)10-11-22-20(27)16-9-6-12-30-16/h4-9,12,23H,3,10-11H2,1-2H3,(H,22,27)(H,24,25,26)