1-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one

Systemtic Name: 1-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one Openeye Name: 1-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]cinnolin-4-one CAS Name: 1-[2-[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-4-cinnolinone IUPAC Name: 1-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]cinnolin-4-one Traditional Name: 1-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-keto-ethyl]cinnolin-4-one Formula: C27H25F2N4O2+ MolecularWeight: 475.509806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)CN4C5=CC=CC=C5C(=O)C=N4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)CN4C5=CC=CC=C5C(=O)C=N4

InChI

InChI=1S/C27H24F2N4O2/c28-21-9-5-19(6-10-21)27(20-7-11-22(29)12-8-20)32-15-13-31(14-16-32)26(35)18-33-24-4-2-1-3-23(24)25(34)17-30-33/h1-12,17,27H,13-16,18H2/p+1