N-[(4S,5R)-1-azabicyclo[3.3.1]nonan-4-yl]-4-azanyl-3-bromanyl-5-iodanyl-2-methoxy-benzamide

Systemtic Name: N-[(4S,5R)-1-azabicyclo[3.3.1]nonan-4-yl]-4-azanyl-3-bromanyl-5-iodanyl-2-methoxy-benzamide Openeye Name: 4-amino-N-[(4S,5R)-1-azabicyclo[3.3.1]nonan-4-yl]-3-bromo-5-iodo-2-methoxy-benzamide CAS Name: 4-amino-N-[(4S,5R)-1-azabicyclo[3.3.1]nonan-4-yl]-3-bromo-5-iodo-2-methoxybenzamide IUPAC Name: 4-amino-N-[(4S,5R)-1-azabicyclo[3.3.1]nonan-4-yl]-3-bromo-5-iodo-2-methoxybenzamide Traditional Name: 4-amino-N-[(4S,5R)-1-azabicyclo[3.3.1]nonan-4-yl]-3-bromo-5-iodo-2-methoxy-benzamide Formula: C16H21BrIN3O2 MolecularWeight: 494.16531

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1C(=O)NC2CCN3CCCC2C3)I)N)Br

Isomeric SMILES

COC1=C(C(=C(C=C1C(=O)N[C@H]2CCN3CCC[C@@H]2C3)I)N)Br

InChI

InChI=1S/C16H21BrIN3O2/c1-23-15-10(7-11(18)14(19)13(15)17)16(22)20-12-4-6-21-5-2-3-9(12)8-21/h7,9,12H,2-6,8,19H2,1H3,(H,20,22)/t9-,12+/m1/s1