2,1,3-benzoxadiazol-5-ylmethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]azanium

Systemtic Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]azanium Openeye Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ammonium IUPAC Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]azanium Traditional Name: benzofurazan-5-ylmethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C23H20N5O+ MolecularWeight: 382.4378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C=NN3)C[NH2+]CC4=CC5=NON=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C=NN3)C[NH2+]CC4=CC5=NON=C5C=C4

InChI

InChI=1S/C23H19N5O/c1-2-4-17(5-3-1)18-7-9-19(10-8-18)23-20(15-25-26-23)14-24-13-16-6-11-21-22(12-16)28-29-27-21/h1-12,15,24H,13-14H2,(H,25,26)/p+1