N-[2-(2-dodecyl-1,2,3,4-tetrazol-5-yl)-2-phenyl-ethanoyl]-3-methyl-pyridin-2-amine oxide

Systemtic Name: N-[2-(2-dodecyl-1,2,3,4-tetrazol-5-yl)-2-phenyl-ethanoyl]-3-methyl-pyridin-2-amine oxide Openeye Name: N-[2-(2-dodecyltetrazol-5-yl)-2-phenyl-acetyl]-3-methyl-pyridin-2-amine oxide CAS Name: N-[2-(2-dodecyl-5-tetrazolyl)-1-oxo-2-phenylethyl]-3-methyl-2-pyridinamine oxide IUPAC Name: N-[2-(2-dodecyltetrazol-5-yl)-2-phenylacetyl]-3-methylpyridin-2-amine oxide Traditional Name: N-[2-(2-lauryltetrazol-5-yl)-2-phenyl-acetyl]-3-methyl-pyridin-2-amine oxide Formula: C27H38N6O2 MolecularWeight: 478.62962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1N=C(N=N1)C(C2=CC=CC=C2)C(=O)[NH+](C3=C(C=CC=N3)C)[O-]

Isomeric SMILES

CCCCCCCCCCCCN1N=C(N=N1)C(C2=CC=CC=C2)C(=O)[NH+](C3=C(C=CC=N3)C)[O-]

InChI

InChI=1S/C27H38N6O2/c1-3-4-5-6-7-8-9-10-11-15-21-32-30-25(29-31-32)24(23-18-13-12-14-19-23)27(34)33(35)26-22(2)17-16-20-28-26/h12-14,16-20,24,33H,3-11,15,21H2,1-2H3