tert-butyl 4-[(7,8-dimethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(7,8-dimethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(7,8-dimethoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(7,8-dimethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(7,8-dimethoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(7,8-dimethoxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N2CCOC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N2CCOC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C21H31N3O6/c1-21(2,3)30-20(26)23-8-6-22(7-9-23)19(25)24-10-11-29-16-13-18(28-5)17(27-4)12-15(16)14-24/h12-13H,6-11,14H2,1-5H3