N-(4-azanyl-2-propyl-quinolin-6-yl)-1-phenyl-bicyclo[2.2.2]octane-4-carboxamide

Systemtic Name: N-(4-azanyl-2-propyl-quinolin-6-yl)-1-phenyl-bicyclo[2.2.2]octane-4-carboxamide Openeye Name: N-(4-amino-2-propyl-6-quinolyl)-1-phenyl-bicyclo[2.2.2]octane-4-carboxamide CAS Name: N-(4-amino-2-propyl-6-quinolinyl)-1-phenyl-4-bicyclo[2.2.2]octanecarboxamide IUPAC Name: N-(4-amino-2-propylquinolin-6-yl)-1-phenylbicyclo[2.2.2]octane-4-carboxamide Traditional Name: N-(4-amino-2-propyl-6-quinolyl)-1-phenyl-bicyclo[2.2.2]octane-4-carboxamide Formula: C27H31N3O MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2)NC(=O)C34CCC(CC3)(CC4)C5=CC=CC=C5)C(=C1)N

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2)NC(=O)C34CCC(CC3)(CC4)C5=CC=CC=C5)C(=C1)N

InChI

InChI=1S/C27H31N3O/c1-2-6-20-18-23(28)22-17-21(9-10-24(22)29-20)30-25(31)27-14-11-26(12-15-27,13-16-27)19-7-4-3-5-8-19/h3-5,7-10,17-18H,2,6,11-16H2,1H3,(H2,28,29)(H,30,31)