N-[2-(4-tert-butylphenyl)-4-oxidanylidene-quinazolin-3-yl]-2-chloranyl-4-fluoranyl-benzamide

Systemtic Name: N-[2-(4-tert-butylphenyl)-4-oxidanylidene-quinazolin-3-yl]-2-chloranyl-4-fluoranyl-benzamide Openeye Name: N-[2-(4-tert-butylphenyl)-4-oxo-quinazolin-3-yl]-2-chloro-4-fluoro-benzamide CAS Name: N-[2-(4-tert-butylphenyl)-4-oxo-3-quinazolinyl]-2-chloro-4-fluorobenzamide IUPAC Name: N-[2-(4-tert-butylphenyl)-4-oxoquinazolin-3-yl]-2-chloro-4-fluorobenzamide Traditional Name: N-[2-(4-tert-butylphenyl)-4-keto-quinazolin-3-yl]-2-chloro-4-fluoro-benzamide Formula: C25H21ClFN3O2 MolecularWeight: 449.904543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=C(C=C(C=C4)F)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C25H21ClFN3O2/c1-25(2,3)16-10-8-15(9-11-16)22-28-21-7-5-4-6-19(21)24(32)30(22)29-23(31)18-13-12-17(27)14-20(18)26/h4-14H,1-3H3,(H,29,31)