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

Systemtic Name: ethyl 2-ethyl-4-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanoylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[[2-(5-isopropyl-6-methyl-benzofuran-3-yl)acetyl]amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[2-(6-methyl-5-propan-2-yl-3-benzofuranyl)-1-oxoethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[[2-(5-isopropyl-6-methyl-benzofuran-3-yl)acetyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)CC3=COC4=CC(=C(C=C43)C(C)C)C)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)CC3=COC4=CC(=C(C=C43)C(C)C)C)C(=O)OCC

InChI

InChI=1S/C28H31N3O4/c1-6-21-26(28(33)34-7-2)27(30-23-11-9-8-10-22(23)29-21)31-25(32)13-18-15-35-24-12-17(5)19(16(3)4)14-20(18)24/h8-12,14-16,29H,6-7,13H2,1-5H3,(H,30,31,32)