4-chloranyl-N-[(3-chloranyl-4-methoxy-phenyl)methyl]-6-(trifluoromethyl)phthalazin-1-amine

Systemtic Name: 4-chloranyl-N-[(3-chloranyl-4-methoxy-phenyl)methyl]-6-(trifluoromethyl)phthalazin-1-amine Openeye Name: 4-chloro-N-[(3-chloro-4-methoxy-phenyl)methyl]-6-(trifluoromethyl)phthalazin-1-amine CAS Name: 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-6-(trifluoromethyl)-1-phthalazinamine IUPAC Name: 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-6-(trifluoromethyl)phthalazin-1-amine Traditional Name: (3-chloro-4-methoxy-benzyl)-[4-chloro-6-(trifluoromethyl)phthalazin-1-yl]amine Formula: C17H12Cl2F3N3O MolecularWeight: 402.19789

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=CC(=C3)C(F)(F)F)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=CC(=C3)C(F)(F)F)Cl)Cl

InChI

InChI=1S/C17H12Cl2F3N3O/c1-26-14-5-2-9(6-13(14)18)8-23-16-11-4-3-10(17(20,21)22)7-12(11)15(19)24-25-16/h2-7H,8H2,1H3,(H,23,25)