8-chloranyl-4,5-bis[3-(dimethylamino)propyl]-4-phenyl-2,3-dihydro-1-benzoxepin-5-ol

Systemtic Name: 8-chloranyl-4,5-bis[3-(dimethylamino)propyl]-4-phenyl-2,3-dihydro-1-benzoxepin-5-ol Openeye Name: 8-chloro-4,5-bis[3-(dimethylamino)propyl]-4-phenyl-2,3-dihydro-1-benzoxepin-5-ol CAS Name: 8-chloro-4,5-bis[3-(dimethylamino)propyl]-4-phenyl-2,3-dihydro-1-benzoxepin-5-ol IUPAC Name: 8-chloro-4,5-bis[3-(dimethylamino)propyl]-4-phenyl-2,3-dihydro-1-benzoxepin-5-ol Traditional Name: 8-chloro-4,5-bis[3-(dimethylamino)propyl]-4-phenyl-2,3-dihydro-1-benzoxepin-5-ol Formula: C26H37ClN2O2 MolecularWeight: 445.03718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1(CCOC2=C(C1(CCCN(C)C)O)C=CC(=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CN(C)CCCC1(CCOC2=C(C1(CCCN(C)C)O)C=CC(=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C26H37ClN2O2/c1-28(2)17-8-14-25(21-10-6-5-7-11-21)16-19-31-24-20-22(27)12-13-23(24)26(25,30)15-9-18-29(3)4/h5-7,10-13,20,30H,8-9,14-19H2,1-4H3