1-[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]-3-phenoxy-propan-2-ol

Systemtic Name: 1-[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]-3-phenoxy-propan-2-ol Openeye Name: 1-phenoxy-3-[4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]propan-2-ol CAS Name: 1-[4-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-1,4-diazepan-1-yl]-3-phenoxy-2-propanol IUPAC Name: 1-[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]-3-phenoxypropan-2-ol Traditional Name: 1-phenoxy-3-[4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]propan-2-ol Formula: C30H34N2O3 MolecularWeight: 470.60256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)CC(COC5=CC=CC=C5)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)CC(COC5=CC=CC=C5)O

InChI

InChI=1S/C30H34N2O3/c1-23-8-10-24(11-9-23)25-12-13-30-26(18-25)19-29(35-30)21-32-15-5-14-31(16-17-32)20-27(33)22-34-28-6-3-2-4-7-28/h2-4,6-13,18-19,27,33H,5,14-17,20-22H2,1H3