N-[2-(3-azabicyclo[2.2.2]octan-3-yl)quinolin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[2-(3-azabicyclo[2.2.2]octan-3-yl)quinolin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[2-(3-azabicyclo[2.2.2]octan-3-yl)-6-quinolyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[2-(3-azabicyclo[2.2.2]octan-3-yl)-6-quinolinyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[2-(3-azabicyclo[2.2.2]octan-3-yl)quinolin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[2-(3-azabicyclo[2.2.2]octan-3-yl)-6-quinolyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C26H28N4O MolecularWeight: 412.52672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC1CN2C3=NC4=C(C=C3)C=C(C=C4)NC(=O)N5CCC6=CC=CC=C6C5

Isomeric SMILES

C1CC2CCC1CN2C3=NC4=C(C=C3)C=C(C=C4)NC(=O)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C26H28N4O/c31-26(29-14-13-19-3-1-2-4-21(19)17-29)27-22-8-11-24-20(15-22)7-12-25(28-24)30-16-18-5-9-23(30)10-6-18/h1-4,7-8,11-12,15,18,23H,5-6,9-10,13-14,16-17H2,(H,27,31)