7-[(4-phenylmethoxypiperidin-1-yl)methyl]-4-(thiolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-[(4-phenylmethoxypiperidin-1-yl)methyl]-4-(thiolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-[(4-benzyloxy-1-piperidyl)methyl]-4-tetrahydrothiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-[(4-phenylmethoxy-1-piperidinyl)methyl]-4-(3-thiolanyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-[(4-phenylmethoxypiperidin-1-yl)methyl]-4-(thiolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-[(4-benzoxypiperidino)methyl]-4-tetrahydrothiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Formula: C26H34N2O2S MolecularWeight: 438.62536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCCN(C4)C5CCSC5

Isomeric SMILES

C1CN(CCC1OCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCCN(C4)C5CCSC5

InChI

InChI=1S/C26H34N2O2S/c1-2-4-21(5-3-1)19-30-25-8-11-27(12-9-25)17-22-6-7-26-23(16-22)18-28(13-14-29-26)24-10-15-31-20-24/h1-7,16,24-25H,8-15,17-20H2