2-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-(4-ethanoylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CC2=CC=CC=C2O1)CC(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CCCC[C@H]1CN(CC2=CC=CC=C2O1)CC(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H31N3O3/c1-3-4-8-19-15-22(14-18-7-5-6-9-20(18)27-19)16-21(26)24-12-10-23(11-13-24)17(2)25/h5-7,9,19H,3-4,8,10-16H2,1-2H3/t19-/m0/s1