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

Systemtic Name: 2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[cyclopropyl-[4-(trifluoromethyl)benzyl]amino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C24H20F3N3OS MolecularWeight: 455.49531

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=C(C=C2)C(F)(F)F)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

Isomeric SMILES

C1CC1N(CC2=CC=C(C=C2)C(F)(F)F)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

InChI

InChI=1S/C24H20F3N3OS/c25-24(26,27)17-9-7-16(8-10-17)14-29(18-11-12-18)15-30-23(31)20-5-2-1-4-19(20)22(28-30)21-6-3-13-32-21/h1-10,13,18H,11-12,14-15H2