1-(2-fluorophenyl)-4-[4-(thiophen-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]piperidin-4-ol

Systemtic Name: 1-(2-fluorophenyl)-4-[4-(thiophen-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]piperidin-4-ol Openeye Name: 1-(2-fluorophenyl)-4-[4-(3-thienylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]piperidin-4-ol CAS Name: 1-(2-fluorophenyl)-4-[4-(3-thiophenylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-4-piperidinol IUPAC Name: 1-(2-fluorophenyl)-4-[4-(thiophen-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]piperidin-4-ol Traditional Name: 1-(2-fluorophenyl)-4-[4-(3-thenyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]piperidin-4-ol Formula: C25H27FN2O2S MolecularWeight: 438.557483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC3=C(C=C2)OCCN(C3)CC4=CSC=C4)O)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CCC1(C2=CC3=C(C=C2)OCCN(C3)CC4=CSC=C4)O)C5=CC=CC=C5F

InChI

InChI=1S/C25H27FN2O2S/c26-22-3-1-2-4-23(22)28-10-8-25(29,9-11-28)21-5-6-24-20(15-21)17-27(12-13-30-24)16-19-7-14-31-18-19/h1-7,14-15,18,29H,8-13,16-17H2