3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)pyrazine-2-carboxylic acid

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)pyrazine-2-carboxylic acid Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazine-2-carboxylic acid CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazine-2-carboxylic acid Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazinoic acid Formula: C15H13N3O3 MolecularWeight: 283.28202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=NC=CN=C3C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=NC=CN=C3C(=O)O

InChI

InChI=1S/C15H13N3O3/c19-14(12-13(15(20)21)17-7-6-16-12)18-8-5-10-3-1-2-4-11(10)9-18/h1-4,6-7H,5,8-9H2,(H,20,21)