1-[2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[2-methyl-4-(8-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazino]-2-(2-thienyl)ethanone Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC2=CC=CS2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)C

Isomeric SMILES

CC1CN(CCN1C(=O)CC2=CC=CS2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)C

InChI

InChI=1S/C25H25N3O2S/c1-17-9-10-22-20(14-17)25(26-21-7-3-4-8-23(21)30-22)27-11-12-28(18(2)16-27)24(29)15-19-6-5-13-31-19/h3-10,13-14,18H,11-12,15-16H2,1-2H3