(3R)-2-(3-cyanopyridin-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3R)-2-(3-cyanopyridin-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-(3-cyano-2-pyridyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-(3-cyano-2-pyridinyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-(3-cyanopyridin-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(3-cyano-2-pyridyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C16H12N3O2- MolecularWeight: 278.28538

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C3=C(C=CC=N3)C#N)C(=O)[O-]

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)C3=C(C=CC=N3)C#N)C(=O)[O-]

InChI

InChI=1S/C16H13N3O2/c17-9-12-6-3-7-18-15(12)19-10-13-5-2-1-4-11(13)8-14(19)16(20)21/h1-7,14H,8,10H2,(H,20,21)/p-1/t14-/m1/s1