(5-butyl-3-cyclohexyl-1,2,4-triazol-1-yl)methyl (3-phenylpyridin-2-yl) carbonate

Systemtic Name: (5-butyl-3-cyclohexyl-1,2,4-triazol-1-yl)methyl (3-phenylpyridin-2-yl) carbonate Openeye Name: (5-butyl-3-cyclohexyl-1,2,4-triazol-1-yl)methyl (3-phenyl-2-pyridyl) carbonate CAS Name: carbonic acid (5-butyl-3-cyclohexyl-1,2,4-triazol-1-yl)methyl (3-phenyl-2-pyridinyl) ester IUPAC Name: (5-butyl-3-cyclohexyl-1,2,4-triazol-1-yl)methyl (3-phenylpyridin-2-yl) carbonate Traditional Name: carbonic acid (5-butyl-3-cyclohexyl-1,2,4-triazol-1-yl)methyl (3-phenyl-2-pyridyl) ester Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1COC(=O)OC2=C(C=CC=N2)C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CCCCC1=NC(=NN1COC(=O)OC2=C(C=CC=N2)C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C25H30N4O3/c1-2-3-16-22-27-23(20-13-8-5-9-14-20)28-29(22)18-31-25(30)32-24-21(15-10-17-26-24)19-11-6-4-7-12-19/h4,6-7,10-12,15,17,20H,2-3,5,8-9,13-14,16,18H2,1H3