(3R)-2-(2-pyrazol-1-ylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3R)-2-(2-pyrazol-1-ylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-(2-pyrazol-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[1-oxo-2-(1-pyrazolyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-(2-pyrazol-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(2-pyrazol-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C15H14N3O3- MolecularWeight: 284.28996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O3/c19-14(10-17-7-3-6-16-17)18-9-12-5-2-1-4-11(12)8-13(18)15(20)21/h1-7,13H,8-10H2,(H,20,21)/p-1/t13-/m1/s1