3-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)pyrazol-1-yl]propanoate

Systemtic Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)pyrazol-1-yl]propanoate Openeye Name: 3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazol-1-yl]propanoate CAS Name: 3-[3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-pyrazolyl]propanoate IUPAC Name: 3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazol-1-yl]propanoate Traditional Name: 3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazol-1-yl]propionate Formula: C16H16N3O3- MolecularWeight: 298.31654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=NN(C=C3)CCC(=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=NN(C=C3)CCC(=O)[O-]

InChI

InChI=1S/C16H17N3O3/c20-15(21)7-10-19-9-6-14(17-19)16(22)18-8-5-12-3-1-2-4-13(12)11-18/h1-4,6,9H,5,7-8,10-11H2,(H,20,21)/p-1