ethyl 2-ethyl-4-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-ethyl-4-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[(5-methylisoxazole-3-carbonyl)amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[(5-methylisoxazole-3-carbonyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=NOC(=C3)C)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=NOC(=C3)C)C(=O)OCC

InChI

InChI=1S/C19H20N4O4/c1-4-12-16(19(25)26-5-2)17(21-14-9-7-6-8-13(14)20-12)22-18(24)15-10-11(3)27-23-15/h6-10,20H,4-5H2,1-3H3,(H,21,22,24)