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

Systemtic Name: 7-[(4-phenylmethoxypiperidin-1-yl)methyl]-4-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-[(4-benzyloxy-1-piperidyl)methyl]-4-(2-thienylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-[(4-phenylmethoxy-1-piperidinyl)methyl]-4-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-[(4-phenylmethoxypiperidin-1-yl)methyl]-4-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-[(4-benzoxypiperidino)methyl]-4-(2-thenyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C27H32N2O2S MolecularWeight: 448.62018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCCN(C4)CC5=CC=CS5

Isomeric SMILES

C1CN(CCC1OCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCCN(C4)CC5=CC=CS5

InChI

InChI=1S/C27H32N2O2S/c1-2-5-22(6-3-1)21-31-25-10-12-28(13-11-25)18-23-8-9-27-24(17-23)19-29(14-15-30-27)20-26-7-4-16-32-26/h1-9,16-17,25H,10-15,18-21H2