ethyl 4-(4-chloranylbenzo[b][1]benzoxepin-6-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-chloranylbenzo[b][1]benzoxepin-6-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(4-chlorobenzo[b][1]benzoxepin-6-yl)piperazine-1-carboxylate CAS Name: 4-(4-chloro-6-benzo[b][1]benzoxepinyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorobenzo[b][1]benzoxepin-6-yl)piperazine-1-carboxylate Traditional Name: 4-(4-chlorobenzo[b][1]benzoxepin-6-yl)piperazine-1-carboxylic acid ethyl ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC3=C(C=CC=C3Cl)OC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC3=C(C=CC=C3Cl)OC4=CC=CC=C42

InChI

InChI=1S/C21H21ClN2O3/c1-2-26-21(25)24-12-10-23(11-13-24)18-14-16-17(22)7-5-9-20(16)27-19-8-4-3-6-15(18)19/h3-9,14H,2,10-13H2,1H3