5-ethynyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]isoquinoline-3-carboxamide

Systemtic Name: 5-ethynyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]isoquinoline-3-carboxamide Openeye Name: 5-ethynyl-N-[(2S,3R)-2-methylquinuclidin-3-yl]isoquinoline-3-carboxamide CAS Name: 5-ethynyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-3-isoquinolinecarboxamide IUPAC Name: 5-ethynyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]isoquinoline-3-carboxamide Traditional Name: 5-ethynyl-N-[(2S,3R)-2-methylquinuclidin-3-yl]isoquinoline-3-carboxamide Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2CCN1CC2)NC(=O)C3=CC4=C(C=CC=C4C=N3)C#C

Isomeric SMILES

C[C@H]1[C@@H](C2CCN1CC2)NC(=O)C3=CC4=C(C=CC=C4C=N3)C#C

InChI

InChI=1S/C20H21N3O/c1-3-14-5-4-6-16-12-21-18(11-17(14)16)20(24)22-19-13(2)23-9-7-15(19)8-10-23/h1,4-6,11-13,15,19H,7-10H2,2H3,(H,22,24)/t13-,19-/m0/s1