2-azanyl-6-[[2,6-bis(fluoranyl)phenyl]methyl]-4-(3-methoxyphenyl)-2-phenethyl-1,2,4-triazin-2-ium-3,5-dione

Systemtic Name: 2-azanyl-6-[[2,6-bis(fluoranyl)phenyl]methyl]-4-(3-methoxyphenyl)-2-phenethyl-1,2,4-triazin-2-ium-3,5-dione Openeye Name: 2-amino-6-[(2,6-difluorophenyl)methyl]-4-(3-methoxyphenyl)-2-phenethyl-1,2,4-triazin-2-ium-3,5-dione CAS Name: 2-amino-6-[(2,6-difluorophenyl)methyl]-4-(3-methoxyphenyl)-2-phenethyl-1,2,4-triazin-2-ium-3,5-dione IUPAC Name: 2-amino-6-[(2,6-difluorophenyl)methyl]-4-(3-methoxyphenyl)-2-phenethyl-1,2,4-triazin-2-ium-3,5-dione Traditional Name: 2-amino-6-(2,6-difluorobenzyl)-4-(3-methoxyphenyl)-2-phenethyl-1,2,4-triazin-2-ium-3,5-quinone Formula: C25H23F2N4O3+ MolecularWeight: 465.471926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C(=N[N+](C2=O)(CCC3=CC=CC=C3)N)CC4=C(C=CC=C4F)F

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C(=N[N+](C2=O)(CCC3=CC=CC=C3)N)CC4=C(C=CC=C4F)F

InChI

InChI=1S/C25H23F2N4O3/c1-34-19-10-5-9-18(15-19)30-24(32)23(16-20-21(26)11-6-12-22(20)27)29-31(28,25(30)33)14-13-17-7-3-2-4-8-17/h2-12,15H,13-14,16,28H2,1H3/q+1