N-cyclopropyl-4-methyl-3-[1-[1,1,1-tris(fluoranyl)-2-oxidanyl-propan-2-yl]phthalazin-6-yl]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[1-[1,1,1-tris(fluoranyl)-2-oxidanyl-propan-2-yl]phthalazin-6-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[1-(2,2,2-trifluoro-1-hydroxy-1-methyl-ethyl)phthalazin-6-yl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-phthalazinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phthalazin-6-yl]benzamide Traditional Name: N-cyclopropyl-4-methyl-3-[1-(2,2,2-trifluoro-1-hydroxy-1-methyl-ethyl)phthalazin-6-yl]benzamide Formula: C22H20F3N3O2 MolecularWeight: 415.40831

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=CN=NC(=C4C=C3)C(C)(C(F)(F)F)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=CN=NC(=C4C=C3)C(C)(C(F)(F)F)O

InChI

InChI=1S/C22H20F3N3O2/c1-12-3-4-14(20(29)27-16-6-7-16)10-18(12)13-5-8-17-15(9-13)11-26-28-19(17)21(2,30)22(23,24)25/h3-5,8-11,16,30H,6-7H2,1-2H3,(H,27,29)