tert-butyl 4-(3-chloranylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-chloranylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-chlorobenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxylate CAS Name: 4-(3-chloro-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-chlorobenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxylate Traditional Name: 4-(3-chlorobenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C42

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C42

InChI

InChI=1S/C22H24ClN3O3/c1-22(2,3)29-21(27)26-12-10-25(11-13-26)20-16-6-4-5-7-18(16)28-19-9-8-15(23)14-17(19)24-20/h4-9,14H,10-13H2,1-3H3