3-(4-bromanylpyrazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: 3-(4-bromanylpyrazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 3-(4-bromopyrazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 3-(4-bromo-1-pyrazolyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 3-(4-bromopyrazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 3-(4-bromopyrazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C15H16BrN3O MolecularWeight: 334.21104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN3O/c16-14-9-17-19(11-14)8-6-15(20)18-7-5-12-3-1-2-4-13(12)10-18/h1-4,9,11H,5-8,10H2