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

Systemtic Name: 1-[4-[[4-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[[4-(2-thienylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[4-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[[4-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[[4-(2-thenyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazino]ethanone Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)CC4=CC=CS4

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)CC4=CC=CS4

InChI

InChI=1S/C21H27N3O2S/c1-17(25)24-8-6-22(7-9-24)14-18-4-5-21-19(13-18)15-23(10-11-26-21)16-20-3-2-12-27-20/h2-5,12-13H,6-11,14-16H2,1H3