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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylpyrazole-4-carboxylic acid Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-pyrazole-4-carboxylic acid Formula: C15H15N3O3 MolecularWeight: 285.2979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N2CCC3=CC=CC=C3C2)C(=O)O

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N2CCC3=CC=CC=C3C2)C(=O)O

InChI

InChI=1S/C15H15N3O3/c1-17-9-12(15(20)21)13(16-17)14(19)18-7-6-10-4-2-3-5-11(10)8-18/h2-5,9H,6-8H2,1H3,(H,20,21)