4-thiophen-2-yl-2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]phthalazin-1-one

Systemtic Name: 4-thiophen-2-yl-2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 4-(2-thienyl)-2-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 4-thiophen-2-yl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 4-thiophen-2-yl-2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 4-(2-thienyl)-2-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]methyl]phthalazin-1-one Formula: C23H20F3N5OS MolecularWeight: 471.49801

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C5=NC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C5=NC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C23H20F3N5OS/c24-23(25,26)16-7-8-20(27-14-16)30-11-9-29(10-12-30)15-31-22(32)18-5-2-1-4-17(18)21(28-31)19-6-3-13-33-19/h1-8,13-14H,9-12,15H2