ethyl 4-[[4-(2,3-dihydro-1-benzofuran-2-ylcarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[4-(2,3-dihydro-1-benzofuran-2-ylcarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-(2,3-dihydrobenzofuran-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-[2,3-dihydrobenzofuran-2-yl(oxo)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[4-(coumaran-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4CC5=CC=CC=C5O4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4CC5=CC=CC=C5O4

InChI

InChI=1S/C26H31N3O5/c1-2-32-26(31)28-11-9-27(10-12-28)17-19-7-8-22-21(15-19)18-29(13-14-33-22)25(30)24-16-20-5-3-4-6-23(20)34-24/h3-8,15,24H,2,9-14,16-18H2,1H3