N,N-diethyl-2-[4-(4-fluoranylbenzo[b][1]benzoxepin-6-yl)piperazin-1-yl]propanamide

Systemtic Name: N,N-diethyl-2-[4-(4-fluoranylbenzo[b][1]benzoxepin-6-yl)piperazin-1-yl]propanamide Openeye Name: N,N-diethyl-2-[4-(4-fluorobenzo[b][1]benzoxepin-6-yl)piperazin-1-yl]propanamide CAS Name: N,N-diethyl-2-[4-(4-fluoro-6-benzo[b][1]benzoxepinyl)-1-piperazinyl]propanamide IUPAC Name: N,N-diethyl-2-[4-(4-fluorobenzo[b][1]benzoxepin-6-yl)piperazin-1-yl]propanamide Traditional Name: N,N-diethyl-2-[4-(4-fluorobenzo[b][1]benzoxepin-6-yl)piperazino]propionamide Formula: C25H30FN3O2 MolecularWeight: 423.523003

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C)N1CCN(CC1)C2=CC3=C(C=CC=C3F)OC4=CC=CC=C42

Isomeric SMILES

CCN(CC)C(=O)C(C)N1CCN(CC1)C2=CC3=C(C=CC=C3F)OC4=CC=CC=C42

InChI

InChI=1S/C25H30FN3O2/c1-4-27(5-2)25(30)18(3)28-13-15-29(16-14-28)22-17-20-21(26)10-8-12-24(20)31-23-11-7-6-9-19(22)23/h6-12,17-18H,4-5,13-16H2,1-3H3