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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-methyl-pyrazole-3-carboxylate Openeye Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-pyrazole-3-carboxylate CAS Name: 4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-methyl-3-pyrazolecarboxylate IUPAC Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylpyrazole-3-carboxylate Traditional Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-pyrazole-3-carboxylate Formula: C15H14N3O3- MolecularWeight: 284.28996

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)[O-])C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CN1C=C(C(=N1)C(=O)[O-])C(=O)N2CCC3=CC=CC=C3C2

InChI

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