N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-morpholin-4-yl-propan-1-amine

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-morpholin-4-yl-propan-1-amine Openeye Name: N-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]-3-morpholino-propan-1-amine CAS Name: N-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl]-3-(4-morpholinyl)-1-propanamine IUPAC Name: N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-morpholin-4-ylpropan-1-amine Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-(3-morpholinopropyl)amine Formula: C21H28BrN3O3 MolecularWeight: 450.36932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCCCN2CCOCC2)Br)OCC3=CN=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCCCN2CCOCC2)Br)OCC3=CN=CC=C3

InChI

InChI=1S/C21H28BrN3O3/c1-26-20-13-18(15-24-6-3-7-25-8-10-27-11-9-25)12-19(22)21(20)28-16-17-4-2-5-23-14-17/h2,4-5,12-14,24H,3,6-11,15-16H2,1H3