4-chloranyl-2-phenyl-5-[4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-1-yl]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-phenyl-5-[4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-1-yl]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-1-yl]pyridazin-3-one CAS Name: 4-chloro-5-[4-[1-oxo-3-(2-pyrimidinylamino)propyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-1-yl]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[4-[3-(2-pyrimidylamino)propanoyl]piperazino]pyridazin-3-one Formula: C21H22ClN7O2 MolecularWeight: 439.89808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)CCNC4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)CCNC4=NC=CC=N4

InChI

InChI=1S/C21H22ClN7O2/c22-19-17(15-26-29(20(19)31)16-5-2-1-3-6-16)27-11-13-28(14-12-27)18(30)7-10-25-21-23-8-4-9-24-21/h1-6,8-9,15H,7,10-14H2,(H,23,24,25)