2-(4-phenylmethoxyphenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline

Systemtic Name: 2-(4-phenylmethoxyphenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline Openeye Name: 2-(4-benzyloxyphenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline CAS Name: 2-(4-phenylmethoxyphenyl)-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]quinazoline IUPAC Name: 2-(4-phenylmethoxyphenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline Traditional Name: 2-(4-benzoxyphenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazino]quinazoline Formula: C32H27F3N4O MolecularWeight: 540.57819

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC(=NC4=CC=CC=C43)C5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC(=NC4=CC=CC=C43)C5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C32H27F3N4O/c33-32(34,35)25-9-6-10-26(21-25)38-17-19-39(20-18-38)31-28-11-4-5-12-29(28)36-30(37-31)24-13-15-27(16-14-24)40-22-23-7-2-1-3-8-23/h1-16,21H,17-20,22H2