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

Systemtic Name: [4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C28H27N5O3 MolecularWeight: 481.54568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C3=CC=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C3=CC=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

InChI

InChI=1S/C28H27N5O3/c1-2-3-4-7-18-36-23-16-14-21(15-17-23)25-19-24(29-30-25)20-10-12-22(13-11-20)28(34)32-26-8-5-6-9-27(26)33(35)31-32/h5-6,8-17,19H,2-4,7,18H2,1H3,(H,29,30)