2-[[[1-(4-fluorophenyl)-2,2-dimethyl-propyl]amino]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[[1-(4-fluorophenyl)-2,2-dimethyl-propyl]amino]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[[1-(4-fluorophenyl)-2,2-dimethyl-propyl]amino]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[[1-(4-fluorophenyl)-2,2-dimethyl-propyl]amino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C24H24FN3OS MolecularWeight: 421.530263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=CC=C(C=C1)F)NCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C(C1=CC=C(C=C1)F)NCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C24H24FN3OS/c1-24(2,3)22(16-10-12-17(25)13-11-16)26-15-28-23(29)19-8-5-4-7-18(19)21(27-28)20-9-6-14-30-20/h4-14,22,26H,15H2,1-3H3