2-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[(2-chloro-6-fluoro-benzyl)-methyl-amino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C21H17ClFN3OS MolecularWeight: 413.895583

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C21H17ClFN3OS/c1-25(12-16-17(22)8-4-9-18(16)23)13-26-21(27)15-7-3-2-6-14(15)20(24-26)19-10-5-11-28-19/h2-11H,12-13H2,1H3