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

Systemtic Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-2-thiophen-2-yl-ethanone Openeye Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazin-1-yl)-2-(2-thienyl)ethanone CAS Name: 1-[4-(6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methylpiperazin-1-yl)-2-thiophen-2-ylethanone Traditional Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-2-methyl-piperazino)-2-(2-thienyl)ethanone Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC2=CC=CS2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

CC1CN(CCN1C(=O)CC2=CC=CS2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C24H23N3O2S/c1-17-16-26(12-13-27(17)23(28)15-18-7-6-14-30-18)24-19-8-2-4-10-21(19)29-22-11-5-3-9-20(22)25-24/h2-11,14,17H,12-13,15-16H2,1H3