2-(4-tert-butylphenyl)-3-[3-(trifluoromethyl)phenyl]-4aH-quinazolin-3-ium-4-one

Systemtic Name: 2-(4-tert-butylphenyl)-3-[3-(trifluoromethyl)phenyl]-4aH-quinazolin-3-ium-4-one Openeye Name: 2-(4-tert-butylphenyl)-3-[3-(trifluoromethyl)phenyl]-4aH-quinazolin-3-ium-4-one CAS Name: 2-(4-tert-butylphenyl)-3-[3-(trifluoromethyl)phenyl]-4aH-quinazolin-3-ium-4-one IUPAC Name: 2-(4-tert-butylphenyl)-3-[3-(trifluoromethyl)phenyl]-4aH-quinazolin-3-ium-4-one Traditional Name: 2-(4-tert-butylphenyl)-3-[3-(trifluoromethyl)phenyl]-4aH-quinazolin-3-ium-4-one Formula: C25H22F3N2O+ MolecularWeight: 423.45019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=[N+](C(=O)C3C=CC=CC3=N2)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=[N+](C(=O)C3C=CC=CC3=N2)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C25H22F3N2O/c1-24(2,3)17-13-11-16(12-14-17)22-29-21-10-5-4-9-20(21)23(31)30(22)19-8-6-7-18(15-19)25(26,27)28/h4-15,20H,1-3H3/q+1