4-[4-(3-chlorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(trifluoromethyl)quinazoline

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(trifluoromethyl)quinazoline Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(trifluoromethyl)quinazoline CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazoline IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(trifluoromethyl)quinazoline Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-6,7-dimethoxy-2-(trifluoromethyl)quinazoline Formula: C21H20ClF3N4O2 MolecularWeight: 452.85731

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CCN(CC3)C4=CC(=CC=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CCN(CC3)C4=CC(=CC=C4)Cl)OC

InChI

InChI=1S/C21H20ClF3N4O2/c1-30-17-11-15-16(12-18(17)31-2)26-20(21(23,24)25)27-19(15)29-8-6-28(7-9-29)14-5-3-4-13(22)10-14/h3-5,10-12H,6-9H2,1-2H3