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

Systemtic Name: 1-[4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-(9-methoxy-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(9-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazino]-2-(2-thienyl)ethanone Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC3=CC=CC=C3O2)N4CCN(CC4)C(=O)CC5=CC=CS5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC3=CC=CC=C3O2)N4CCN(CC4)C(=O)CC5=CC=CS5

InChI

InChI=1S/C24H23N3O3S/c1-29-17-8-9-19-22(15-17)30-21-7-3-2-6-20(21)25-24(19)27-12-10-26(11-13-27)23(28)16-18-5-4-14-31-18/h2-9,14-15H,10-13,16H2,1H3