1-oxidanidyl-4-oxidanyl-N-(4-piperazin-1-ylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,2,4-benzotriazin-1-ium-3-imine

Systemtic Name: 1-oxidanidyl-4-oxidanyl-N-(4-piperazin-1-ylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,2,4-benzotriazin-1-ium-3-imine Openeye Name: 4-hydroxy-1-oxido-N-(4-piperazin-1-ylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,2,4-benzotriazin-1-ium-3-imine CAS Name: 4-hydroxy-1-oxido-N-[4-(1-piperazinyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,2,4-benzotriazin-1-ium-3-imine IUPAC Name: 4-hydroxy-1-oxido-N-(4-piperazin-1-ylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,2,4-benzotriazin-1-ium-3-imine Traditional Name: [4-hydroxy-1-oxido-6-[4-(trifluoromethyl)phenyl]-1,2,4-benzotriazin-1-ium-3-ylidene]-(4-piperazinophenyl)amine Formula: C24H21F3N6O2 MolecularWeight: 482.45775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)N=C3N=[N+](C4=C(N3O)C=C(C=C4)C5=CC=C(C=C5)C(F)(F)F)[O-]

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)N=C3N=[N+](C4=C(N3O)C=C(C=C4)C5=CC=C(C=C5)C(F)(F)F)[O-]

InChI

InChI=1S/C24H21F3N6O2/c25-24(26,27)18-4-1-16(2-5-18)17-3-10-21-22(15-17)32(34)23(30-33(21)35)29-19-6-8-20(9-7-19)31-13-11-28-12-14-31/h1-10,15,28,34H,11-14H2