N-[(E)-(4-heptoxyphenyl)methylideneamino]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine

Systemtic Name: N-[(E)-(4-heptoxyphenyl)methylideneamino]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine Openeye Name: N-[(E)-(4-heptoxyphenyl)methyleneamino]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine CAS Name: N-[(E)-(4-heptoxyphenyl)methylideneamino]-2-phenyl-6-(trifluoromethyl)-4-pyrimidinamine IUPAC Name: N-[(E)-(4-heptoxyphenyl)methylideneamino]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine Traditional Name: [(E)-(4-heptoxybenzylidene)amino]-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]amine Formula: C25H27F3N4O MolecularWeight: 456.50329

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C=NNC2=NC(=NC(=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)/C=N/NC2=NC(=NC(=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C25H27F3N4O/c1-2-3-4-5-9-16-33-21-14-12-19(13-15-21)18-29-32-23-17-22(25(26,27)28)30-24(31-23)20-10-7-6-8-11-20/h6-8,10-15,17-18H,2-5,9,16H2,1H3,(H,30,31,32)/b29-18+