5-azanyl-6-chloranyl-N-(1,4-diazabicyclo[2.2.2]octan-3-ylmethyl)quinoline-8-carboxamide

Systemtic Name: 5-azanyl-6-chloranyl-N-(1,4-diazabicyclo[2.2.2]octan-3-ylmethyl)quinoline-8-carboxamide Openeye Name: 5-amino-6-chloro-N-(1,4-diazabicyclo[2.2.2]octan-3-ylmethyl)quinoline-8-carboxamide CAS Name: 5-amino-6-chloro-N-(1,4-diazabicyclo[2.2.2]octan-3-ylmethyl)-8-quinolinecarboxamide IUPAC Name: 5-amino-6-chloro-N-(1,4-diazabicyclo[2.2.2]octan-3-ylmethyl)quinoline-8-carboxamide Traditional Name: 5-amino-6-chloro-N-(1,4-diazabicyclo[2.2.2]octan-3-ylmethyl)quinoline-8-carboxamide Formula: C17H20ClN5O MolecularWeight: 345.8266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCN1CC2CNC(=O)C3=CC(=C(C4=C3N=CC=C4)N)Cl

Isomeric SMILES

C1CN2CCN1CC2CNC(=O)C3=CC(=C(C4=C3N=CC=C4)N)Cl

InChI

InChI=1S/C17H20ClN5O/c18-14-8-13(16-12(15(14)19)2-1-3-20-16)17(24)21-9-11-10-22-4-6-23(11)7-5-22/h1-3,8,11H,4-7,9-10,19H2,(H,21,24)