1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]cinnolin-4-one

Systemtic Name: 1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]cinnolin-4-one Openeye Name: 1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]cinnolin-4-one CAS Name: 1-[3-[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]-4-cinnolinone IUPAC Name: 1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]cinnolin-4-one Traditional Name: 1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-keto-propyl]cinnolin-4-one Formula: C28H27F2N4O2+ MolecularWeight: 489.536386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)CCN4C5=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)CCN4C5=CC=CC=C5C(=O)C=N4

InChI

InChI=1S/C28H26F2N4O2/c29-22-9-5-20(6-10-22)28(21-7-11-23(30)12-8-21)33-17-15-32(16-18-33)27(36)13-14-34-25-4-2-1-3-24(25)26(35)19-31-34/h1-12,19,28H,13-18H2/p+1