2-[(E)-2-(4-tert-butylphenyl)ethenyl]-7-chloranyl-3-(5-fluoranyl-2-methyl-phenyl)quinazolin-4-one

Systemtic Name: 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-7-chloranyl-3-(5-fluoranyl-2-methyl-phenyl)quinazolin-4-one Openeye Name: 2-[(E)-2-(4-tert-butylphenyl)vinyl]-7-chloro-3-(5-fluoro-2-methyl-phenyl)quinazolin-4-one CAS Name: 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-7-chloro-3-(5-fluoro-2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-7-chloro-3-(5-fluoro-2-methylphenyl)quinazolin-4-one Traditional Name: 2-[(E)-2-(4-tert-butylphenyl)vinyl]-7-chloro-3-(5-fluoro-2-methyl-phenyl)quinazolin-4-one Formula: C27H24ClFN2O MolecularWeight: 446.943663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)C=CC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)F)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)/C=C/C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H24ClFN2O/c1-17-5-12-21(29)16-24(17)31-25(30-23-15-20(28)11-13-22(23)26(31)32)14-8-18-6-9-19(10-7-18)27(2,3)4/h5-16H,1-4H3/b14-8+