6,7-dimethoxy-4-[3-[4-(trifluoromethyloxy)phenoxy]pyrrolidin-1-yl]quinazoline

Systemtic Name: 6,7-dimethoxy-4-[3-[4-(trifluoromethyloxy)phenoxy]pyrrolidin-1-yl]quinazoline Openeye Name: 6,7-dimethoxy-4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]quinazoline CAS Name: 6,7-dimethoxy-4-[3-[4-(trifluoromethoxy)phenoxy]-1-pyrrolidinyl]quinazoline IUPAC Name: 6,7-dimethoxy-4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]quinazoline Traditional Name: 6,7-dimethoxy-4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidino]quinazoline Formula: C21H20F3N3O4 MolecularWeight: 435.39641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCC(C3)OC4=CC=C(C=C4)OC(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCC(C3)OC4=CC=C(C=C4)OC(F)(F)F)OC

InChI

InChI=1S/C21H20F3N3O4/c1-28-18-9-16-17(10-19(18)29-2)25-12-26-20(16)27-8-7-15(11-27)30-13-3-5-14(6-4-13)31-21(22,23)24/h3-6,9-10,12,15H,7-8,11H2,1-2H3