4-[4-(7-bromanyl-4-ethoxy-quinazolin-2-yl)oxyphenoxy]-3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]pentanenitrile

Systemtic Name: 4-[4-(7-bromanyl-4-ethoxy-quinazolin-2-yl)oxyphenoxy]-3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]pentanenitrile Openeye Name: 4-[4-(7-bromo-4-ethoxy-quinazolin-2-yl)oxyphenoxy]-3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile CAS Name: 4-[4-[(7-bromo-4-ethoxy-2-quinazolinyl)oxy]phenoxy]-3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile IUPAC Name: 4-[4-(7-bromo-4-ethoxyquinazolin-2-yl)oxyphenoxy]-3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile Traditional Name: 4-[4-(7-bromo-4-ethoxy-quinazolin-2-yl)oxyphenoxy]-3-keto-2-[3-(trifluoromethyl)phenyl]valeronitrile Formula: C28H21BrF3N3O4 MolecularWeight: 600.38325

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC2=C1C=CC(=C2)Br)OC3=CC=C(C=C3)OC(C)C(=O)C(C#N)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CCOC1=NC(=NC2=C1C=CC(=C2)Br)OC3=CC=C(C=C3)OC(C)C(=O)C(C#N)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C28H21BrF3N3O4/c1-3-37-26-22-12-7-19(29)14-24(22)34-27(35-26)39-21-10-8-20(9-11-21)38-16(2)25(36)23(15-33)17-5-4-6-18(13-17)28(30,31)32/h4-14,16,23H,3H2,1-2H3