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

Systemtic Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]pyrazole-4-carboxylate Openeye Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]pyrazole-4-carboxylate CAS Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4-pyrazolecarboxylate IUPAC Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyrazole-4-carboxylate Traditional Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]pyrazole-4-carboxylate Formula: C16H16N3O3- MolecularWeight: 298.31654

Click to see the large picture

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)/p-1