2-[(E)-2-pyridin-4-ylethenyl]-3-[3-(trifluoromethyl)phenyl]-4aH-quinazolin-3-ium-4-one

Systemtic Name: 2-[(E)-2-pyridin-4-ylethenyl]-3-[3-(trifluoromethyl)phenyl]-4aH-quinazolin-3-ium-4-one Openeye Name: 2-[(E)-2-(4-pyridyl)vinyl]-3-[3-(trifluoromethyl)phenyl]-4aH-quinazolin-3-ium-4-one CAS Name: 2-[(E)-2-pyridin-4-ylethenyl]-3-[3-(trifluoromethyl)phenyl]-4aH-quinazolin-3-ium-4-one IUPAC Name: 2-[(E)-2-pyridin-4-ylethenyl]-3-[3-(trifluoromethyl)phenyl]-4aH-quinazolin-3-ium-4-one Traditional Name: 2-[(E)-2-(4-pyridyl)vinyl]-3-[3-(trifluoromethyl)phenyl]-4aH-quinazolin-3-ium-4-one Formula: C22H15F3N3O+ MolecularWeight: 394.36921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=NC(=[N+](C2=O)C3=CC=CC(=C3)C(F)(F)F)C=CC4=CC=NC=C4)C=C1

Isomeric SMILES

C1=CC2C(=NC(=[N+](C2=O)C3=CC=CC(=C3)C(F)(F)F)/C=C/C4=CC=NC=C4)C=C1

InChI

InChI=1S/C22H15F3N3O/c23-22(24,25)16-4-3-5-17(14-16)28-20(9-8-15-10-12-26-13-11-15)27-19-7-2-1-6-18(19)21(28)29/h1-14,18H/q+1/b9-8+