5-[[1-(4-chloranyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pent-3-enyl]amino]-8aH-phthalazin-1-one

Systemtic Name: 5-[[1-(4-chloranyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pent-3-enyl]amino]-8aH-phthalazin-1-one Openeye Name: 5-[[1-(4-chloro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enyl]amino]-8aH-phthalazin-1-one CAS Name: 5-[[1-(4-chloro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enyl]amino]-8aH-phthalazin-1-one IUPAC Name: 5-[[1-(4-chloro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enyl]amino]-8aH-phthalazin-1-one Traditional Name: 5-[[1-(4-chloro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-3-enyl]amino]-8aH-phthalazin-1-one Formula: C22H21ClF3N3O3 MolecularWeight: 467.86865

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(C(C1=C(C=C(C=C1)Cl)OC)NC2=CC=CC3C2=CN=NC3=O)(C(F)(F)F)O)C

Isomeric SMILES

CC(=CC(C(C1=C(C=C(C=C1)Cl)OC)NC2=CC=CC3C2=CN=NC3=O)(C(F)(F)F)O)C

InChI

InChI=1S/C22H21ClF3N3O3/c1-12(2)10-21(31,22(24,25)26)19(15-8-7-13(23)9-18(15)32-3)28-17-6-4-5-14-16(17)11-27-29-20(14)30/h4-11,14,19,28,31H,1-3H3