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

Systemtic Name: ethyl 2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-methyl-4-[(5-methylisoxazole-3-carbonyl)amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-methyl-4-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-methyl-4-[(5-methylisoxazole-3-carbonyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C18H18N4O4 MolecularWeight: 354.35992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4/c1-4-25-18(24)15-11(3)19-12-7-5-6-8-13(12)20-16(15)21-17(23)14-9-10(2)26-22-14/h5-9,19H,4H2,1-3H3,(H,20,21,23)