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

Systemtic Name: ethyl 4-[[4-(3-cyclohexylpropanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-(3-cyclohexylpropanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-(3-cyclohexyl-1-oxopropyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3-cyclohexylpropanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[4-(3-cyclohexylpropanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H39N3O4 MolecularWeight: 457.60556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCC4CCCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCC4CCCCC4

InChI

InChI=1S/C26H39N3O4/c1-2-32-26(31)28-14-12-27(13-15-28)19-22-8-10-24-23(18-22)20-29(16-17-33-24)25(30)11-9-21-6-4-3-5-7-21/h8,10,18,21H,2-7,9,11-17,19-20H2,1H3