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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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