N-(1-azabicyclo[2.2.2]octan-3-yl)-4-azanyl-5-chloranyl-2-[(3-iodanylphenyl)methoxy]benzamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-azanyl-5-chloranyl-2-[(3-iodanylphenyl)methoxy]benzamide Openeye Name: 4-amino-5-chloro-2-[(3-iodophenyl)methoxy]-N-quinuclidin-3-yl-benzamide CAS Name: 4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2-[(3-iodophenyl)methoxy]benzamide IUPAC Name: 4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2-[(3-iodophenyl)methoxy]benzamide Traditional Name: 4-amino-5-chloro-2-(3-iodobenzyl)oxy-N-quinuclidin-3-yl-benzamide Formula: C21H23ClIN3O2 MolecularWeight: 511.78369

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=CC(=C(C=C3OCC4=CC(=CC=C4)I)N)Cl

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)C3=CC(=C(C=C3OCC4=CC(=CC=C4)I)N)Cl

InChI

InChI=1S/C21H23ClIN3O2/c22-17-9-16(21(27)25-19-11-26-6-4-14(19)5-7-26)20(10-18(17)24)28-12-13-2-1-3-15(23)8-13/h1-3,8-10,14,19H,4-7,11-12,24H2,(H,25,27)