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

Systemtic Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-2-thiophen-2-yl-ethanone Openeye Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-2-(2-thienyl)ethanone CAS Name: 1-[4-(6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-2-thiophen-2-ylethanone Traditional Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-2-(2-thienyl)ethanone Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=CS2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=CS2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C24H23N3O2S/c28-23(17-18-7-5-16-30-18)26-12-6-13-27(15-14-26)24-19-8-1-3-10-21(19)29-22-11-4-2-9-20(22)25-24/h1-5,7-11,16H,6,12-15,17H2