2-(1H-pyrazol-4-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(1H-pyrazol-4-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(1H-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[oxo(1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(1H-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(1H-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CNN=C3)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CNN=C3)C(=O)O

InChI

InChI=1S/C14H13N3O3/c18-13(11-6-15-16-7-11)17-8-10-4-2-1-3-9(10)5-12(17)14(19)20/h1-4,6-7,12H,5,8H2,(H,15,16)(H,19,20)