3-[(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propanamide

Systemtic Name: 3-[(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propanamide Openeye Name: 3-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propanamide CAS Name: 3-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propanamide IUPAC Name: 3-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propanamide Traditional Name: 3-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propionamide Formula: C13H17BrN2O3 MolecularWeight: 329.18968

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNCCC(=O)N)Br)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNCCC(=O)N)Br)OC1

InChI

InChI=1S/C13H17BrN2O3/c14-10-6-9(8-16-3-2-12(15)17)7-11-13(10)19-5-1-4-18-11/h6-7,16H,1-5,8H2,(H2,15,17)