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

Systemtic Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCN3C=CC(=N3)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCN3C=CC(=N3)C(=O)O

InChI

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