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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1COC(=O)OC2=CC(=NC=C2)C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CCCCC1=NC(=NN1COC(=O)OC2=CC(=NC=C2)C3=CC=CC=C3)C4CCCCC4

InChI

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