2-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-[4-(2-thienylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(2S)-8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-[4-(2-thenyl)piperazino]ethanone Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC2=C(O1)C=C(C=C2)OC)CC(=O)N3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

C[C@H]1CN(CC2=C(O1)C=C(C=C2)OC)CC(=O)N3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C22H29N3O3S/c1-17-13-24(14-18-5-6-19(27-2)12-21(18)28-17)16-22(26)25-9-7-23(8-10-25)15-20-4-3-11-29-20/h3-6,11-12,17H,7-10,13-16H2,1-2H3/t17-/m0/s1