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

Systemtic Name: 2-[2-(1,2,4-triazol-1-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-(1,2,4-triazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-(1,2,4-triazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-(1,2,4-triazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C14H14N4O3 MolecularWeight: 286.28596

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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

C1C(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)