(3R)-2-(5-cyanopyridin-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3R)-2-(5-cyanopyridin-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-(5-cyano-2-pyridyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-(5-cyano-2-pyridinyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-(5-cyanopyridin-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(5-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=NC=C(C=C3)C#N)C(=O)[O-]

Isomeric SMILES

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

InChI

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