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

Systemtic Name: 1-[4-[(2S)-7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[(2S)-7-methyl-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[(2S)-7-methyl-2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[(2S)-7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[(2S)-7-methyl-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidino]ethanone Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CN(C2)C3CCN(CC3)C(=O)C)C4=CSC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@H](CN(C2)C3CCN(CC3)C(=O)C)C4=CSC=C4

InChI

InChI=1S/C21H26N2O2S/c1-15-3-4-20-18(11-15)12-23(13-21(25-20)17-7-10-26-14-17)19-5-8-22(9-6-19)16(2)24/h3-4,7,10-11,14,19,21H,5-6,8-9,12-13H2,1-2H3/t21-/m1/s1