2-[[[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl-methyl-amino]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl-methyl-amino]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[[1-(difluoromethyl)benzimidazol-2-yl]methyl-methyl-amino]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[[1-(difluoromethyl)-2-benzimidazolyl]methyl-methylamino]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[[1-(difluoromethyl)benzimidazol-2-yl]methyl-methylamino]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[[1-(difluoromethyl)benzimidazol-2-yl]methyl-methyl-amino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C23H19F2N5OS MolecularWeight: 451.491666

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2N1C(F)F)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2N1C(F)F)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

InChI

InChI=1S/C23H19F2N5OS/c1-28(13-20-26-17-9-4-5-10-18(17)30(20)23(24)25)14-29-22(31)16-8-3-2-7-15(16)21(27-29)19-11-6-12-32-19/h2-12,23H,13-14H2,1H3