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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-methyl-pyrazole-3-carboxylate Openeye Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-pyrazole-3-carboxylate CAS Name: 4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-methyl-3-pyrazolecarboxylate IUPAC Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyrazole-3-carboxylate Traditional Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-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)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/c1-17-13(15(20)21)12(8-16-17)14(19)18-7-6-10-4-2-3-5-11(10)9-18/h2-5,8H,6-7,9H2,1H3,(H,20,21)/p-1