5-azanyl-6-bromanyl-N-(1,4-diazabicyclo[2.2.2]octan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide

Systemtic Name: 5-azanyl-6-bromanyl-N-(1,4-diazabicyclo[2.2.2]octan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide Openeye Name: 5-amino-6-bromo-N-(1,4-diazabicyclo[2.2.2]octan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide CAS Name: 5-amino-6-bromo-N-(1,4-diazabicyclo[2.2.2]octan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-8-carboxamide IUPAC Name: 5-amino-6-bromo-N-(1,4-diazabicyclo[2.2.2]octan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide Traditional Name: 5-amino-6-bromo-N-(1,4-diazabicyclo[2.2.2]octan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-8-carboxamide Formula: C16H21BrN4O3 MolecularWeight: 397.26694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCN1CC2CNC(=O)C3=CC(=C(C4=C3OCCO4)N)Br

Isomeric SMILES

C1CN2CCN1CC2CNC(=O)C3=CC(=C(C4=C3OCCO4)N)Br

InChI

InChI=1S/C16H21BrN4O3/c17-12-7-11(14-15(13(12)18)24-6-5-23-14)16(22)19-8-10-9-20-1-3-21(10)4-2-20/h7,10H,1-6,8-9,18H2,(H,19,22)