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

Systemtic Name: [5-butyl-3-(cyclohexylmethyl)-1,2,4-triazol-1-yl]methyl (2-phenylpyridin-4-yl) carbonate Openeye Name: [5-butyl-3-(cyclohexylmethyl)-1,2,4-triazol-1-yl]methyl (2-phenyl-4-pyridyl) carbonate CAS Name: carbonic acid [5-butyl-3-(cyclohexylmethyl)-1,2,4-triazol-1-yl]methyl (2-phenyl-4-pyridinyl) ester IUPAC Name: [5-butyl-3-(cyclohexylmethyl)-1,2,4-triazol-1-yl]methyl (2-phenylpyridin-4-yl) carbonate Traditional Name: carbonic acid [5-butyl-3-(cyclohexylmethyl)-1,2,4-triazol-1-yl]methyl (2-phenyl-4-pyridyl) ester Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1COC(=O)OC2=CC(=NC=C2)C3=CC=CC=C3)CC4CCCCC4

Isomeric SMILES

CCCCC1=NC(=NN1COC(=O)OC2=CC(=NC=C2)C3=CC=CC=C3)CC4CCCCC4

InChI

InChI=1S/C26H32N4O3/c1-2-3-14-25-28-24(17-20-10-6-4-7-11-20)29-30(25)19-32-26(31)33-22-15-16-27-23(18-22)21-12-8-5-9-13-21/h5,8-9,12-13,15-16,18,20H,2-4,6-7,10-11,14,17,19H2,1H3