4-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-2-(trifluoromethyl)quinazoline

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-2-(trifluoromethyl)quinazoline Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-2-(trifluoromethyl)quinazoline CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-7-methoxy-2-(trifluoromethyl)quinazoline IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-2-(trifluoromethyl)quinazoline Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-7-methoxy-2-(trifluoromethyl)quinazoline Formula: C20H18ClF3N4O MolecularWeight: 422.83133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H18ClF3N4O/c1-29-15-5-6-16-17(12-15)25-19(20(22,23)24)26-18(16)28-9-7-27(8-10-28)14-4-2-3-13(21)11-14/h2-6,11-12H,7-10H2,1H3