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

Systemtic Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-(8-methoxy-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazino]-2-(2-thienyl)ethanone Formula: C25H25N3O3S MolecularWeight: 447.5493

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S/c1-17-16-27(11-12-28(17)24(29)15-19-6-5-13-32-19)25-20-14-18(30-2)9-10-22(20)31-23-8-4-3-7-21(23)26-25/h3-10,13-14,17H,11-12,15-16H2,1-2H3