ethyl 4-[(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)carbonyl]-1-phenyl-piperazine-2-carboxylate

Systemtic Name: ethyl 4-[(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)carbonyl]-1-phenyl-piperazine-2-carboxylate Openeye Name: ethyl 4-(3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)-1-phenyl-piperazine-2-carboxylate CAS Name: 4-[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-oxomethyl]-1-phenyl-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)-1-phenylpiperazine-2-carboxylate Traditional Name: 4-(3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)-1-phenyl-piperazine-2-carboxylic acid ethyl ester Formula: C27H26ClN3O4 MolecularWeight: 491.96604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1C2=CC=CC=C2)C(=O)N3CC4=CC=CC=C4OC5=C3C=C(C=C5)Cl

Isomeric SMILES

CCOC(=O)C1CN(CCN1C2=CC=CC=C2)C(=O)N3CC4=CC=CC=C4OC5=C3C=C(C=C5)Cl

InChI

InChI=1S/C27H26ClN3O4/c1-2-34-26(32)23-18-29(14-15-30(23)21-9-4-3-5-10-21)27(33)31-17-19-8-6-7-11-24(19)35-25-13-12-20(28)16-22(25)31/h3-13,16,23H,2,14-15,17-18H2,1H3