4-[1-oxidanidyl-4-oxidanyl-3-(4-piperazin-1-ylphenyl)imino-1,2,4-benzotriazin-1-ium-6-yl]benzenecarbonitrile

Systemtic Name: 4-[1-oxidanidyl-4-oxidanyl-3-(4-piperazin-1-ylphenyl)imino-1,2,4-benzotriazin-1-ium-6-yl]benzenecarbonitrile Openeye Name: 4-[4-hydroxy-1-oxido-3-(4-piperazin-1-ylphenyl)imino-1,2,4-benzotriazin-1-ium-6-yl]benzonitrile CAS Name: 4-[4-hydroxy-1-oxido-3-[4-(1-piperazinyl)phenyl]imino-1,2,4-benzotriazin-1-ium-6-yl]benzonitrile IUPAC Name: 4-[4-hydroxy-1-oxido-3-(4-piperazin-1-ylphenyl)imino-1,2,4-benzotriazin-1-ium-6-yl]benzonitrile Traditional Name: 4-[4-hydroxy-1-oxido-3-(4-piperazinophenyl)imino-1,2,4-benzotriazin-1-ium-6-yl]benzonitrile Formula: C24H21N7O2 MolecularWeight: 439.46924

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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#N)[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#N)[O-]

InChI

InChI=1S/C24H21N7O2/c25-16-17-1-3-18(4-2-17)19-5-10-22-23(15-19)30(32)24(28-31(22)33)27-20-6-8-21(9-7-20)29-13-11-26-12-14-29/h1-10,15,26,32H,11-14H2