N-[(4-tert-butylphenyl)methyl]-2-(6-quinolin-7-yloxypyrimidin-4-yl)-5-(trifluoromethyl)aniline

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-2-(6-quinolin-7-yloxypyrimidin-4-yl)-5-(trifluoromethyl)aniline Openeye Name: N-[(4-tert-butylphenyl)methyl]-2-[6-(7-quinolyloxy)pyrimidin-4-yl]-5-(trifluoromethyl)aniline CAS Name: N-[(4-tert-butylphenyl)methyl]-2-[6-(7-quinolinyloxy)-4-pyrimidinyl]-5-(trifluoromethyl)aniline IUPAC Name: N-[(4-tert-butylphenyl)methyl]-2-(6-quinolin-7-yloxypyrimidin-4-yl)-5-(trifluoromethyl)aniline Traditional Name: (4-tert-butylbenzyl)-[2-[6-(7-quinolyloxy)pyrimidin-4-yl]-5-(trifluoromethyl)phenyl]amine Formula: C31H27F3N4O MolecularWeight: 528.56749

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC2=C(C=CC(=C2)C(F)(F)F)C3=CC(=NC=N3)OC4=CC5=C(C=CC=N5)C=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC2=C(C=CC(=C2)C(F)(F)F)C3=CC(=NC=N3)OC4=CC5=C(C=CC=N5)C=C4

InChI

InChI=1S/C31H27F3N4O/c1-30(2,3)22-9-6-20(7-10-22)18-36-27-15-23(31(32,33)34)11-13-25(27)28-17-29(38-19-37-28)39-24-12-8-21-5-4-14-35-26(21)16-24/h4-17,19,36H,18H2,1-3H3