1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-(9-methoxy-2-methyl-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-(9-methoxy-2-methylbenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(9-methoxy-2-methyl-benzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazino]-2-(2-thienyl)ethanone Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC2=CC=CS2)C3=NC4=C(C=C(C=C4)C)OC5=C3C=CC(=C5)OC

Isomeric SMILES

CC1CN(CCN1C(=O)CC2=CC=CS2)C3=NC4=C(C=C(C=C4)C)OC5=C3C=CC(=C5)OC

InChI

InChI=1S/C26H27N3O3S/c1-17-6-9-22-24(13-17)32-23-14-19(31-3)7-8-21(23)26(27-22)28-10-11-29(18(2)16-28)25(30)15-20-5-4-12-33-20/h4-9,12-14,18H,10-11,15-16H2,1-3H3