2-(1-methylpyrazol-4-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(1-methylpyrazol-4-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(1-methyl-4-pyrazolyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C15H15N3O3 MolecularWeight: 285.2979

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

Isomeric SMILES

CN1C=C(C=N1)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

InChI

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