6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine hydrochloride

Systemtic Name: 6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine hydrochloride Openeye Name: N-[4-benzyloxy-3-(trifluoromethyl)phenyl]-6,7-dimethoxy-quinazolin-4-amine hydrochloride CAS Name: 6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]-4-quinazolinamine hydrochloride IUPAC Name: 6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine hydrochloride Traditional Name: [4-benzoxy-3-(trifluoromethyl)phenyl]-(6,7-dimethoxyquinazolin-4-yl)amine hydrochloride Formula: C24H21ClF3N3O3 MolecularWeight: 491.89005

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)OCC4=CC=CC=C4)C(F)(F)F)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)OCC4=CC=CC=C4)C(F)(F)F)OC.Cl

InChI

InChI=1S/C24H20F3N3O3.ClH/c1-31-21-11-17-19(12-22(21)32-2)28-14-29-23(17)30-16-8-9-20(18(10-16)24(25,26)27)33-13-15-6-4-3-5-7-15;/h3-12,14H,13H2,1-2H3,(H,28,29,30);1H