ethyl 2-ethyl-4-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-ethyl-4-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[[2-(4-ketoquinazolin-3-yl)acetyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C24H23N5O4 MolecularWeight: 445.47052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)CN3C=NC4=CC=CC=C4C3=O)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)CN3C=NC4=CC=CC=C4C3=O)C(=O)OCC

InChI

InChI=1S/C24H23N5O4/c1-3-16-21(24(32)33-4-2)22(27-19-12-8-7-11-18(19)26-16)28-20(30)13-29-14-25-17-10-6-5-9-15(17)23(29)31/h5-12,14,26H,3-4,13H2,1-2H3,(H,27,28,30)