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

Systemtic Name: (5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl (2-phenylpyridin-4-yl) carbonate Openeye Name: (5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl (2-phenyl-4-pyridyl) carbonate CAS Name: carbonic acid (5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl (2-phenyl-4-pyridinyl) ester IUPAC Name: (5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl (2-phenylpyridin-4-yl) carbonate Traditional Name: carbonic acid (5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl (2-phenyl-4-pyridyl) ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3/c1-3-5-12-21-24-20(9-4-2)25-26(21)16-28-22(27)29-18-13-14-23-19(15-18)17-10-7-6-8-11-17/h6-8,10-11,13-15H,3-5,9,12,16H2,1-2H3