1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]pyrazole-4-carboxylic acid Formula: C15H15N3O3 MolecularWeight: 285.2979

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CN3C=C(C=N3)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CN3C=C(C=N3)C(=O)O

InChI

InChI=1S/C15H15N3O3/c19-14(10-18-9-13(7-16-18)15(20)21)17-6-5-11-3-1-2-4-12(11)8-17/h1-4,7,9H,5-6,8,10H2,(H,20,21)