2-[(E)-2-(4-tert-butylphenyl)ethenyl]-7-chloranyl-3-(3-fluorophenyl)quinazolin-4-one

Systemtic Name: 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-7-chloranyl-3-(3-fluorophenyl)quinazolin-4-one Openeye Name: 2-[(E)-2-(4-tert-butylphenyl)vinyl]-7-chloro-3-(3-fluorophenyl)quinazolin-4-one CAS Name: 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-7-chloro-3-(3-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-7-chloro-3-(3-fluorophenyl)quinazolin-4-one Traditional Name: 2-[(E)-2-(4-tert-butylphenyl)vinyl]-7-chloro-3-(3-fluorophenyl)quinazolin-4-one Formula: C26H22ClFN2O MolecularWeight: 432.917083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=CC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC(=CC=C4)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/C2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC(=CC=C4)F

InChI

InChI=1S/C26H22ClFN2O/c1-26(2,3)18-10-7-17(8-11-18)9-14-24-29-23-15-19(27)12-13-22(23)25(31)30(24)21-6-4-5-20(28)16-21/h4-16H,1-3H3/b14-9+