tert-butyl 4-[(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C23H26ClN3O4 MolecularWeight: 443.92324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N2CC3=CC=CC=C3OC4=C2C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N2CC3=CC=CC=C3OC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C23H26ClN3O4/c1-23(2,3)31-22(29)26-12-10-25(11-13-26)21(28)27-15-16-6-4-5-7-19(16)30-20-9-8-17(24)14-18(20)27/h4-9,14H,10-13,15H2,1-3H3