N,N-diethyl-2-[4-(5-fluoranylbenzo[b][1]benzoxepin-6-yl)piperazin-1-yl]propanamide

Systemtic Name: N,N-diethyl-2-[4-(5-fluoranylbenzo[b][1]benzoxepin-6-yl)piperazin-1-yl]propanamide Openeye Name: N,N-diethyl-2-[4-(5-fluorobenzo[b][1]benzoxepin-6-yl)piperazin-1-yl]propanamide CAS Name: N,N-diethyl-2-[4-(5-fluoro-6-benzo[b][1]benzoxepinyl)-1-piperazinyl]propanamide IUPAC Name: N,N-diethyl-2-[4-(5-fluorobenzo[b][1]benzoxepin-6-yl)piperazin-1-yl]propanamide Traditional Name: N,N-diethyl-2-[4-(5-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=C(C3=CC=CC=C3OC4=CC=CC=C42)F

Isomeric SMILES

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

InChI

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