2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[methyl-[4-(trifluoromethyl)benzyl]amino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C22H18F3N3OS MolecularWeight: 429.45803

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(F)(F)F)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(F)(F)F)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C22H18F3N3OS/c1-27(13-15-8-10-16(11-9-15)22(23,24)25)14-28-21(29)18-6-3-2-5-17(18)20(26-28)19-7-4-12-30-19/h2-12H,13-14H2,1H3