4-[3-azanyl-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[3-azanyl-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one Openeye Name: 4-[3-amino-4-[4-(3-pyridylmethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one CAS Name: 4-[3-amino-4-[4-(3-pyridinylmethyl)-1-piperazinyl]phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[3-amino-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one Traditional Name: 4-[3-amino-4-[4-(3-pyridylmethyl)piperazino]phenyl]-2H-phthalazin-1-one Formula: C24H24N6O MolecularWeight: 412.48696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C3=C(C=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)N

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C3=C(C=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)N

InChI

InChI=1S/C24H24N6O/c25-21-14-18(23-19-5-1-2-6-20(19)24(31)28-27-23)7-8-22(21)30-12-10-29(11-13-30)16-17-4-3-9-26-15-17/h1-9,14-15H,10-13,16,25H2,(H,28,31)