1-(azepan-1-yl)-3-[2-methoxy-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]propan-2-ol

Systemtic Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]propan-2-ol Openeye Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[[2-(3-pyridyl)ethylamino]methyl]phenoxy]propan-2-ol CAS Name: 1-(1-azepanyl)-3-[2-methoxy-4-[[2-(3-pyridinyl)ethylamino]methyl]phenoxy]-2-propanol IUPAC Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]propan-2-ol Traditional Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[[2-(3-pyridyl)ethylamino]methyl]phenoxy]propan-2-ol Formula: C24H35N3O3 MolecularWeight: 413.553

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCCC2=CN=CC=C2)OCC(CN3CCCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCCC2=CN=CC=C2)OCC(CN3CCCCCC3)O

InChI

InChI=1S/C24H35N3O3/c1-29-24-15-21(17-26-12-10-20-7-6-11-25-16-20)8-9-23(24)30-19-22(28)18-27-13-4-2-3-5-14-27/h6-9,11,15-16,22,26,28H,2-5,10,12-14,17-19H2,1H3