ethyl 2-ethyl-4-[(1-methyl-6-oxidanylidene-pyridazin-3-yl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-ethyl-4-[(1-methyl-6-oxidanylidene-pyridazin-3-yl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[(1-methyl-6-oxo-pyridazine-3-carbonyl)amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[(1-methyl-6-oxo-3-pyridazinyl)-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[(6-keto-1-methyl-pyridazine-3-carbonyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4/c1-4-12-17(20(28)29-5-2)18(22-14-9-7-6-8-13(14)21-12)23-19(27)15-10-11-16(26)25(3)24-15/h6-11,21H,4-5H2,1-3H3,(H,22,23,27)