4-[3,4-bis(fluoranyl)phenyl]-2-[(4-piperidin-1-ylcarbonylpiperazin-1-yl)methyl]phthalazin-1-one

Systemtic Name: 4-[3,4-bis(fluoranyl)phenyl]-2-[(4-piperidin-1-ylcarbonylpiperazin-1-yl)methyl]phthalazin-1-one Openeye Name: 4-(3,4-difluorophenyl)-2-[[4-(piperidine-1-carbonyl)piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 4-(3,4-difluorophenyl)-2-[[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 4-(3,4-difluorophenyl)-2-[[4-(piperidine-1-carbonyl)piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 4-(3,4-difluorophenyl)-2-[[4-(piperidine-1-carbonyl)piperazino]methyl]phthalazin-1-one Formula: C25H27F2N5O2 MolecularWeight: 467.510986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC(=C(C=C5)F)F

Isomeric SMILES

C1CCN(CC1)C(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC(=C(C=C5)F)F

InChI

InChI=1S/C25H27F2N5O2/c26-21-9-8-18(16-22(21)27)23-19-6-2-3-7-20(19)24(33)32(28-23)17-29-12-14-31(15-13-29)25(34)30-10-4-1-5-11-30/h2-3,6-9,16H,1,4-5,10-15,17H2