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

Systemtic Name: ethyl 2-ethyl-4-[(3-methyl-1-benzofuran-2-yl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[(3-methylbenzofuran-2-carbonyl)amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[(3-methylbenzofuran-2-carbonyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=C(C4=CC=CC=C4O3)C)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=C(C4=CC=CC=C4O3)C)C(=O)OCC

InChI

InChI=1S/C24H23N3O4/c1-4-16-20(24(29)30-5-2)22(26-18-12-8-7-11-17(18)25-16)27-23(28)21-14(3)15-10-6-9-13-19(15)31-21/h6-13,25H,4-5H2,1-3H3,(H,26,27,28)