4-[4-(3-chlorophenyl)piperazin-1-yl]-6,8-dimethyl-2-(trifluoromethyl)quinazoline

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6,8-dimethyl-2-(trifluoromethyl)quinazoline Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6,8-dimethyl-2-(trifluoromethyl)quinazoline CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-6,8-dimethyl-2-(trifluoromethyl)quinazoline IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6,8-dimethyl-2-(trifluoromethyl)quinazoline Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-6,8-dimethyl-2-(trifluoromethyl)quinazoline Formula: C21H20ClF3N4 MolecularWeight: 420.85851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CCN(CC3)C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CCN(CC3)C4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C21H20ClF3N4/c1-13-10-14(2)18-17(11-13)19(27-20(26-18)21(23,24)25)29-8-6-28(7-9-29)16-5-3-4-15(22)12-16/h3-5,10-12H,6-9H2,1-2H3