(2S)-1-(azepan-1-yl)-3-[3-[(3-pyridin-3-ylpropylamino)methyl]phenoxy]propan-2-ol

Systemtic Name: (2S)-1-(azepan-1-yl)-3-[3-[(3-pyridin-3-ylpropylamino)methyl]phenoxy]propan-2-ol Openeye Name: (2S)-1-(azepan-1-yl)-3-[3-[[3-(3-pyridyl)propylamino]methyl]phenoxy]propan-2-ol CAS Name: (2S)-1-(1-azepanyl)-3-[3-[[3-(3-pyridinyl)propylamino]methyl]phenoxy]-2-propanol IUPAC Name: (2S)-1-(azepan-1-yl)-3-[3-[(3-pyridin-3-ylpropylamino)methyl]phenoxy]propan-2-ol Traditional Name: (2S)-1-(azepan-1-yl)-3-[3-[[3-(3-pyridyl)propylamino]methyl]phenoxy]propan-2-ol Formula: C24H35N3O2 MolecularWeight: 397.5536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(COC2=CC=CC(=C2)CNCCCC3=CN=CC=C3)O

Isomeric SMILES

C1CCCN(CC1)C[C@@H](COC2=CC=CC(=C2)CNCCCC3=CN=CC=C3)O

InChI

InChI=1S/C24H35N3O2/c28-23(19-27-14-3-1-2-4-15-27)20-29-24-11-5-8-22(16-24)18-26-13-7-10-21-9-6-12-25-17-21/h5-6,8-9,11-12,16-17,23,26,28H,1-4,7,10,13-15,18-20H2/t23-/m0/s1