N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-5-ethynyl-isoquinoline-3-carboxamide

Systemtic Name: N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-5-ethynyl-isoquinoline-3-carboxamide Openeye Name: N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-5-ethynyl-isoquinoline-3-carboxamide CAS Name: N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-5-ethynyl-3-isoquinolinecarboxamide IUPAC Name: N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-5-ethynylisoquinoline-3-carboxamide Traditional Name: N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-5-ethynyl-isoquinoline-3-carboxamide Formula: C19H19N3O MolecularWeight: 305.37366

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C2C=C(N=CC2=CC=C1)C(=O)NC3CC4CCN(C4)C3

Isomeric SMILES

C#CC1=C2C=C(N=CC2=CC=C1)C(=O)N[C@@H]3C[C@H]4CCN(C4)C3

InChI

InChI=1S/C19H19N3O/c1-2-14-4-3-5-15-10-20-18(9-17(14)15)19(23)21-16-8-13-6-7-22(11-13)12-16/h1,3-5,9-10,13,16H,6-8,11-12H2,(H,21,23)/t13-,16-/m1/s1