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

Systemtic Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]pyrazole-4-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=C(C=N3)C(=O)O

Isomeric SMILES

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

InChI

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