1-[7-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[7-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[7-[[4-(2-pyridylmethyl)piperazin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-thienyl)ethanone CAS Name: 1-[7-[[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-[7-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[7-[[4-(2-pyridylmethyl)piperazino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-thienyl)ethanone Formula: C26H30N4O2S MolecularWeight: 462.607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)C(=O)CC4=CC=CS4)CC5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)C(=O)CC4=CC=CS4)CC5=CC=CC=N5

InChI

InChI=1S/C26H30N4O2S/c31-26(17-24-5-3-15-33-24)30-13-14-32-25-7-6-21(16-22(25)19-30)18-28-9-11-29(12-10-28)20-23-4-1-2-8-27-23/h1-8,15-16H,9-14,17-20H2