6-chloranyl-N-(1,4-diazabicyclo[2.2.2]octan-3-ylmethyl)-1,3-benzodioxole-4-carboxamide

Systemtic Name: 6-chloranyl-N-(1,4-diazabicyclo[2.2.2]octan-3-ylmethyl)-1,3-benzodioxole-4-carboxamide Openeye Name: 6-chloro-N-(1,4-diazabicyclo[2.2.2]octan-3-ylmethyl)-1,3-benzodioxole-4-carboxamide CAS Name: 6-chloro-N-(1,4-diazabicyclo[2.2.2]octan-3-ylmethyl)-1,3-benzodioxole-4-carboxamide IUPAC Name: 6-chloro-N-(1,4-diazabicyclo[2.2.2]octan-3-ylmethyl)-1,3-benzodioxole-4-carboxamide Traditional Name: 6-chloro-N-(1,4-diazabicyclo[2.2.2]octan-3-ylmethyl)-1,3-benzodioxole-4-carboxamide Formula: C15H18ClN3O3 MolecularWeight: 323.77472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCN1CC2CNC(=O)C3=CC(=CC4=C3OCO4)Cl

Isomeric SMILES

C1CN2CCN1CC2CNC(=O)C3=CC(=CC4=C3OCO4)Cl

InChI

InChI=1S/C15H18ClN3O3/c16-10-5-12(14-13(6-10)21-9-22-14)15(20)17-7-11-8-18-1-3-19(11)4-2-18/h5-6,11H,1-4,7-9H2,(H,17,20)