1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 2-[3-[oxo(1-pyrrolidinyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-2-[3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C24H30N6O2 MolecularWeight: 434.534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC3=CC=CC=C3CN2CC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCN(C1)C(=O)C2CC3=CC=CC=C3CN2CC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C24H30N6O2/c31-22(27-12-14-29(15-13-27)24-25-8-5-9-26-24)18-30-17-20-7-2-1-6-19(20)16-21(30)23(32)28-10-3-4-11-28/h1-2,5-9,21H,3-4,10-18H2