2-[(E)-2-(4-tert-butylphenyl)ethenyl]-7-chloranyl-3-(3,5-dimethylphenyl)quinazolin-4-one

Systemtic Name: 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-7-chloranyl-3-(3,5-dimethylphenyl)quinazolin-4-one Openeye Name: 2-[(E)-2-(4-tert-butylphenyl)vinyl]-7-chloro-3-(3,5-dimethylphenyl)quinazolin-4-one CAS Name: 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-7-chloro-3-(3,5-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-7-chloro-3-(3,5-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[(E)-2-(4-tert-butylphenyl)vinyl]-7-chloro-3-(3,5-dimethylphenyl)quinazolin-4-one Formula: C28H27ClN2O MolecularWeight: 442.97978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN2O/c1-18-14-19(2)16-23(15-18)31-26(30-25-17-22(29)11-12-24(25)27(31)32)13-8-20-6-9-21(10-7-20)28(3,4)5/h6-17H,1-5H3/b13-8+