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

Systemtic Name: ethyl 2-ethyl-4-[(2-methylfuran-3-yl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[(2-methylfuran-3-carbonyl)amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[(2-methyl-3-furanyl)-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[(2-methylfuran-3-carbonyl)amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[(2-methyl-3-furoyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4/c1-4-14-17(20(25)26-5-2)18(22-16-9-7-6-8-15(16)21-14)23-19(24)13-10-11-27-12(13)3/h6-11,21H,4-5H2,1-3H3,(H,22,23,24)