1-(azepan-1-yl)-3-[3-[(thiophen-3-ylmethylamino)methyl]phenoxy]propan-2-ol

Systemtic Name: 1-(azepan-1-yl)-3-[3-[(thiophen-3-ylmethylamino)methyl]phenoxy]propan-2-ol Openeye Name: 1-(azepan-1-yl)-3-[3-[(3-thienylmethylamino)methyl]phenoxy]propan-2-ol CAS Name: 1-(1-azepanyl)-3-[3-[(3-thiophenylmethylamino)methyl]phenoxy]-2-propanol IUPAC Name: 1-(azepan-1-yl)-3-[3-[(thiophen-3-ylmethylamino)methyl]phenoxy]propan-2-ol Traditional Name: 1-(azepan-1-yl)-3-[3-[(3-thenylamino)methyl]phenoxy]propan-2-ol Formula: C21H30N2O2S MolecularWeight: 374.5401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(COC2=CC=CC(=C2)CNCC3=CSC=C3)O

Isomeric SMILES

C1CCCN(CC1)CC(COC2=CC=CC(=C2)CNCC3=CSC=C3)O

InChI

InChI=1S/C21H30N2O2S/c24-20(15-23-9-3-1-2-4-10-23)16-25-21-7-5-6-18(12-21)13-22-14-19-8-11-26-17-19/h5-8,11-12,17,20,22,24H,1-4,9-10,13-16H2