ethyl 2-ethyl-4-(pyridin-4-ylcarbonylamino)-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-ethyl-4-(pyridin-4-ylcarbonylamino)-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-(pyridine-4-carbonylamino)-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[oxo(pyridin-4-yl)methyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-(pyridine-4-carbonylamino)-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-isonicotinamido-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3/c1-3-14-17(20(26)27-4-2)18(23-16-8-6-5-7-15(16)22-14)24-19(25)13-9-11-21-12-10-13/h5-12,22H,3-4H2,1-2H3,(H,23,24,25)