3-(4-fluorophenyl)-2-[[(4-fluorophenyl)methylamino]methyl]-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-(4-fluorophenyl)-2-[[(4-fluorophenyl)methylamino]methyl]-4aH-quinazolin-3-ium-4-one Openeye Name: 3-(4-fluorophenyl)-2-[[(4-fluorophenyl)methylamino]methyl]-4aH-quinazolin-3-ium-4-one CAS Name: 3-(4-fluorophenyl)-2-[[(4-fluorophenyl)methylamino]methyl]-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-(4-fluorophenyl)-2-[[(4-fluorophenyl)methylamino]methyl]-4aH-quinazolin-3-ium-4-one Traditional Name: 2-[[(4-fluorobenzyl)amino]methyl]-3-(4-fluorophenyl)-4aH-quinazolin-3-ium-4-one Formula: C22H18F2N3O+ MolecularWeight: 378.394626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=NC(=[N+](C2=O)C3=CC=C(C=C3)F)CNCC4=CC=C(C=C4)F)C=C1

Isomeric SMILES

C1=CC2C(=NC(=[N+](C2=O)C3=CC=C(C=C3)F)CNCC4=CC=C(C=C4)F)C=C1

InChI

InChI=1S/C22H18F2N3O/c23-16-7-5-15(6-8-16)13-25-14-21-26-20-4-2-1-3-19(20)22(28)27(21)18-11-9-17(24)10-12-18/h1-12,19,25H,13-14H2/q+1