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

Systemtic Name: 1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-(10-methoxy-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(10-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=CC=CC2=C1OC3=CC=CC=C3N=C2N4CCN(CC4)C(=O)CC5=CC=CS5

Isomeric SMILES

COC1=CC=CC2=C1OC3=CC=CC=C3N=C2N4CCN(CC4)C(=O)CC5=CC=CS5

InChI

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