9-[1-[(4-pyrazol-1-ylphenyl)methyl]-1,2,3-triazol-4-yl]nonanoic acid

Systemtic Name: 9-[1-[(4-pyrazol-1-ylphenyl)methyl]-1,2,3-triazol-4-yl]nonanoic acid Openeye Name: 9-[1-[(4-pyrazol-1-ylphenyl)methyl]triazol-4-yl]nonanoic acid CAS Name: 9-[1-[[4-(1-pyrazolyl)phenyl]methyl]-4-triazolyl]nonanoic acid IUPAC Name: 9-[1-[(4-pyrazol-1-ylphenyl)methyl]triazol-4-yl]nonanoic acid Traditional Name: 9-[1-(4-pyrazol-1-ylbenzyl)triazol-4-yl]pelargonic acid Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)CN3C=C(N=N3)CCCCCCCCC(=O)O

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)CN3C=C(N=N3)CCCCCCCCC(=O)O

InChI

InChI=1S/C21H27N5O2/c27-21(28)9-6-4-2-1-3-5-8-19-17-25(24-23-19)16-18-10-12-20(13-11-18)26-15-7-14-22-26/h7,10-15,17H,1-6,8-9,16H2,(H,27,28)