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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCCN(CC4)C(=O)CC5=CC=CS5

Isomeric SMILES

COC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCCN(CC4)C(=O)CC5=CC=CS5

InChI

InChI=1S/C25H25N3O3S/c1-30-18-9-10-22-20(16-18)25(26-21-7-2-3-8-23(21)31-22)28-12-5-11-27(13-14-28)24(29)17-19-6-4-15-32-19/h2-4,6-10,15-16H,5,11-14,17H2,1H3