4-pyridin-3-yl-1-[[4-[(3S)-thiolan-3-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-4-ol

Systemtic Name: 4-pyridin-3-yl-1-[[4-[(3S)-thiolan-3-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-4-ol Openeye Name: 4-(3-pyridyl)-1-[[4-[(3S)-tetrahydrothiophen-3-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-4-ol CAS Name: 4-(3-pyridinyl)-1-[[4-[(3S)-3-thiolanyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-piperidinol IUPAC Name: 4-pyridin-3-yl-1-[[4-[(3S)-thiolan-3-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-4-ol Traditional Name: 4-(3-pyridyl)-1-[[4-[(3S)-tetrahydrothiophen-3-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidin-4-ol Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC1N2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)(C5=CN=CC=C5)O

Isomeric SMILES

C1CSC[C@H]1N2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)(C5=CN=CC=C5)O

InChI

InChI=1S/C24H31N3O2S/c28-24(21-2-1-8-25-15-21)6-9-26(10-7-24)16-19-3-4-23-20(14-19)17-27(11-12-29-23)22-5-13-30-18-22/h1-4,8,14-15,22,28H,5-7,9-13,16-18H2/t22-/m0/s1