4-[[3-(4-pyridin-3-ylpiperazin-1-yl)carbonylphenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one

Systemtic Name: 4-[[3-(4-pyridin-3-ylpiperazin-1-yl)carbonylphenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Openeye Name: 4-[[3-[4-(3-pyridyl)piperazine-1-carbonyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one CAS Name: 4-[[3-[oxo-[4-(3-pyridinyl)-1-piperazinyl]methyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one IUPAC Name: 4-[[3-(4-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Traditional Name: 4-[3-[4-(3-pyridyl)piperazine-1-carbonyl]benzyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NNC2=O)CC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CN=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=NNC2=O)CC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CN=CC=C5

InChI

InChI=1S/C25H27N5O2/c31-24-22-9-2-1-8-21(22)23(27-28-24)16-18-5-3-6-19(15-18)25(32)30-13-11-29(12-14-30)20-7-4-10-26-17-20/h3-7,10,15,17H,1-2,8-9,11-14,16H2,(H,28,31)