[2-[5-(4-hexoxyphenyl)-1H-pyrazol-3-yl]-3-oxidanidyl-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone

Systemtic Name: [2-[5-(4-hexoxyphenyl)-1H-pyrazol-3-yl]-3-oxidanidyl-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone Openeye Name: [2-[5-(4-hexoxyphenyl)-1H-pyrazol-3-yl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone CAS Name: [2-[5-(4-hexoxyphenyl)-1H-pyrazol-3-yl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenylmethanone IUPAC Name: [2-[5-(4-hexoxyphenyl)-1H-pyrazol-3-yl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenylmethanone Traditional Name: [2-[5-(4-hexoxyphenyl)-1H-pyrazol-3-yl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC(=NN2)N3[NH+](C4=CC=CC=C4N3C(=O)C5=CC=CC=C5)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC(=NN2)N3[NH+](C4=CC=CC=C4N3C(=O)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C28H29N5O3/c1-2-3-4-10-19-36-23-17-15-21(16-18-23)24-20-27(30-29-24)32-31(28(34)22-11-6-5-7-12-22)25-13-8-9-14-26(25)33(32)35/h5-9,11-18,20,33H,2-4,10,19H2,1H3,(H,29,30)