1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-(10-methoxy-6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(10-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=CC=CC2=C1OC3=CC=CC=C3N=C2N4CCCN(CC4)C(=O)CC5=CC=CS5

Isomeric SMILES

COC1=CC=CC2=C1OC3=CC=CC=C3N=C2N4CCCN(CC4)C(=O)CC5=CC=CS5

InChI

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