ethyl 4-(5-fluoranylbenzo[b][1]benzoxepin-6-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(5-fluoranylbenzo[b][1]benzoxepin-6-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(5-fluorobenzo[b][1]benzoxepin-6-yl)piperazine-1-carboxylate CAS Name: 4-(5-fluoro-6-benzo[b][1]benzoxepinyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-fluorobenzo[b][1]benzoxepin-6-yl)piperazine-1-carboxylate Traditional Name: 4-(5-fluorobenzo[b][1]benzoxepin-6-yl)piperazine-1-carboxylic acid ethyl ester Formula: C21H21FN2O3 MolecularWeight: 368.401443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C3=CC=CC=C3OC4=CC=CC=C42)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C3=CC=CC=C3OC4=CC=CC=C42)F

InChI

InChI=1S/C21H21FN2O3/c1-2-26-21(25)24-13-11-23(12-14-24)20-16-8-4-6-10-18(16)27-17-9-5-3-7-15(17)19(20)22/h3-10H,2,11-14H2,1H3