4-chloranyl-7-isocyano-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]phthalazin-1-amine

Systemtic Name: 4-chloranyl-7-isocyano-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]phthalazin-1-amine Openeye Name: 4-chloro-7-isocyano-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]phthalazin-1-amine CAS Name: 4-chloro-7-isocyano-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1-phthalazinamine IUPAC Name: 4-chloro-7-isocyano-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]phthalazin-1-amine Traditional Name: (4-chloro-7-isocyano-phthalazin-1-yl)-[4-methyl-3-(trifluoromethyl)benzyl]amine Formula: C18H12ClF3N4 MolecularWeight: 376.76289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])Cl)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])Cl)C(F)(F)F

InChI

InChI=1S/C18H12ClF3N4/c1-10-3-4-11(7-15(10)18(20,21)22)9-24-17-14-8-12(23-2)5-6-13(14)16(19)25-26-17/h3-8H,9H2,1H3,(H,24,26)