2-[(2S)-7-chloranyl-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone

Systemtic Name: 2-[(2S)-7-chloranyl-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone Openeye Name: 2-[(2S)-7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-[4-(4-pyridyl)-1-piperidyl]ethanone CAS Name: 2-[(2S)-7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-(4-pyridin-4-yl-1-piperidinyl)ethanone IUPAC Name: 2-[(2S)-7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone Traditional Name: 2-[(2S)-7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-[4-(4-pyridyl)piperidino]ethanone Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC2=C(O1)C=CC(=C2)Cl)CC(=O)N3CCC(CC3)C4=CC=NC=C4

Isomeric SMILES

C[C@H]1CN(CC2=C(O1)C=CC(=C2)Cl)CC(=O)N3CCC(CC3)C4=CC=NC=C4

InChI

InChI=1S/C22H26ClN3O2/c1-16-13-25(14-19-12-20(23)2-3-21(19)28-16)15-22(27)26-10-6-18(7-11-26)17-4-8-24-9-5-17/h2-5,8-9,12,16,18H,6-7,10-11,13-15H2,1H3/t16-/m0/s1