N-[(1R,3R,4S)-7-azabicyclo[2.2.1]heptan-3-yl]-6-bromanyl-isoquinoline-3-carboxamide

Systemtic Name: N-[(1R,3R,4S)-7-azabicyclo[2.2.1]heptan-3-yl]-6-bromanyl-isoquinoline-3-carboxamide Openeye Name: N-[(1R,3R,4S)-7-azabicyclo[2.2.1]heptan-3-yl]-6-bromo-isoquinoline-3-carboxamide CAS Name: N-[(1R,3R,4S)-7-azabicyclo[2.2.1]heptan-3-yl]-6-bromo-3-isoquinolinecarboxamide IUPAC Name: N-[(1R,3R,4S)-7-azabicyclo[2.2.1]heptan-3-yl]-6-bromoisoquinoline-3-carboxamide Traditional Name: N-[(1R,3R,4S)-7-azabicyclo[2.2.1]heptan-3-yl]-6-bromo-isoquinoline-3-carboxamide Formula: C16H16BrN3O MolecularWeight: 346.22174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(CC1N2)NC(=O)C3=NC=C4C=CC(=CC4=C3)Br

Isomeric SMILES

C1C[C@H]2[C@@H](C[C@@H]1N2)NC(=O)C3=NC=C4C=CC(=CC4=C3)Br

InChI

InChI=1S/C16H16BrN3O/c17-11-2-1-9-8-18-15(6-10(9)5-11)16(21)20-14-7-12-3-4-13(14)19-12/h1-2,5-6,8,12-14,19H,3-4,7H2,(H,20,21)/t12-,13+,14-/m1/s1