1-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-thiophen-2-yl-ethanone

Systemtic Name: 1-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-thiophen-2-yl-ethanone Openeye Name: 1-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(2-thienyl)ethanone CAS Name: 1-[4-(6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-thiophen-2-ylethanone Traditional Name: 1-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazino)-2-(2-thienyl)ethanone Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)CC5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)CC5=CC=CS5

InChI

InChI=1S/C23H21N3O2S/c27-22(16-17-6-5-15-29-17)25-11-13-26(14-12-25)23-18-7-1-3-9-20(18)28-21-10-4-2-8-19(21)24-23/h1-10,15H,11-14,16H2