N1-propyl-2-[5-[4-(trifluoromethyloxy)phenyl]-1,3-benzoxazol-2-yl]benzene-1,4-diamine

Systemtic Name: N1-propyl-2-[5-[4-(trifluoromethyloxy)phenyl]-1,3-benzoxazol-2-yl]benzene-1,4-diamine Openeye Name: N1-propyl-2-[5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-yl]benzene-1,4-diamine CAS Name: N1-propyl-2-[5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-yl]benzene-1,4-diamine IUPAC Name: 1-N-propyl-2-[5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-yl]benzene-1,4-diamine Traditional Name: [4-amino-2-[5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-yl]phenyl]-propyl-amine Formula: C23H20F3N3O2 MolecularWeight: 427.41901

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)N)C2=NC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

CCCNC1=C(C=C(C=C1)N)C2=NC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C23H20F3N3O2/c1-2-11-28-19-9-6-16(27)13-18(19)22-29-20-12-15(5-10-21(20)30-22)14-3-7-17(8-4-14)31-23(24,25)26/h3-10,12-13,28H,2,11,27H2,1H3