N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloranyl-isoquinoline-3-carboxamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloranyl-isoquinoline-3-carboxamide Openeye Name: 5-chloro-N-quinuclidin-3-yl-isoquinoline-3-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-3-isoquinolinecarboxamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroisoquinoline-3-carboxamide Traditional Name: 5-chloro-N-quinuclidin-3-yl-isoquinoline-3-carboxamide Formula: C17H18ClN3O MolecularWeight: 315.79732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=NC=C4C=CC=C(C4=C3)Cl

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)C3=NC=C4C=CC=C(C4=C3)Cl

InChI

InChI=1S/C17H18ClN3O/c18-14-3-1-2-12-9-19-15(8-13(12)14)17(22)20-16-10-21-6-4-11(16)5-7-21/h1-3,8-9,11,16H,4-7,10H2,(H,20,22)