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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCN(CC4)C(=O)CC5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCN(CC4)C(=O)CC5=CC=CS5

InChI

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