[5-butyl-3-(2-methylpropyl)-1,2,4-triazol-1-yl]methyl (2-phenylpyridin-3-yl) carbonate

Systemtic Name: [5-butyl-3-(2-methylpropyl)-1,2,4-triazol-1-yl]methyl (2-phenylpyridin-3-yl) carbonate Openeye Name: (5-butyl-3-isobutyl-1,2,4-triazol-1-yl)methyl (2-phenyl-3-pyridyl) carbonate CAS Name: carbonic acid [5-butyl-3-(2-methylpropyl)-1,2,4-triazol-1-yl]methyl (2-phenyl-3-pyridinyl) ester IUPAC Name: [5-butyl-3-(2-methylpropyl)-1,2,4-triazol-1-yl]methyl (2-phenylpyridin-3-yl) carbonate Traditional Name: carbonic acid (5-butyl-3-isobutyl-1,2,4-triazol-1-yl)methyl (2-phenyl-3-pyridyl) ester Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1COC(=O)OC2=C(N=CC=C2)C3=CC=CC=C3)CC(C)C

Isomeric SMILES

CCCCC1=NC(=NN1COC(=O)OC2=C(N=CC=C2)C3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C23H28N4O3/c1-4-5-13-21-25-20(15-17(2)3)26-27(21)16-29-23(28)30-19-12-9-14-24-22(19)18-10-7-6-8-11-18/h6-12,14,17H,4-5,13,15-16H2,1-3H3