(3R)-2-[2-(1,2,4-triazol-1-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3R)-2-[2-(1,2,4-triazol-1-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-[2-(1,2,4-triazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-[2-(1,2,4-triazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(1,2,4-triazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C14H13N4O3- MolecularWeight: 285.27802

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CN3C=NC=N3)C(=O)[O-]

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)C(=O)CN3C=NC=N3)C(=O)[O-]

InChI

InChI=1S/C14H14N4O3/c19-13(7-17-9-15-8-16-17)18-6-11-4-2-1-3-10(11)5-12(18)14(20)21/h1-4,8-9,12H,5-7H2,(H,20,21)/p-1/t12-/m1/s1