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

Systemtic Name: 2-(4-methylphenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline Openeye Name: 2-(p-tolyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline CAS Name: 2-(4-methylphenyl)-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]quinazoline IUPAC Name: 2-(4-methylphenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline Traditional Name: 2-(p-tolyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazino]quinazoline Formula: C26H23F3N4 MolecularWeight: 448.48283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C26H23F3N4/c1-18-9-11-19(12-10-18)24-30-23-8-3-2-7-22(23)25(31-24)33-15-13-32(14-16-33)21-6-4-5-20(17-21)26(27,28)29/h2-12,17H,13-16H2,1H3