ethyl 4-[2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-[2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[[2-(5,6-dimethylbenzofuran-3-yl)acetyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[2-(5,6-dimethyl-3-benzofuranyl)-1-oxoethyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[[2-(5,6-dimethylbenzofuran-3-yl)acetyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)CC3=COC4=CC(=C(C=C43)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)CC3=COC4=CC(=C(C=C43)C)C)C

InChI

InChI=1S/C25H25N3O4/c1-5-31-25(30)23-16(4)26-19-8-6-7-9-20(19)27-24(23)28-22(29)12-17-13-32-21-11-15(3)14(2)10-18(17)21/h6-11,13,26H,5,12H2,1-4H3,(H,27,28,29)