[4-[5-butyl-3-(2-cyclohexylethyl)-1,2,4-triazol-1-yl]-3-phenyl-pyridin-2-yl] methyl carbonate

Systemtic Name: [4-[5-butyl-3-(2-cyclohexylethyl)-1,2,4-triazol-1-yl]-3-phenyl-pyridin-2-yl] methyl carbonate Openeye Name: [4-[5-butyl-3-(2-cyclohexylethyl)-1,2,4-triazol-1-yl]-3-phenyl-2-pyridyl] methyl carbonate CAS Name: carbonic acid [4-[5-butyl-3-(2-cyclohexylethyl)-1,2,4-triazol-1-yl]-3-phenyl-2-pyridinyl] methyl ester IUPAC Name: [4-[5-butyl-3-(2-cyclohexylethyl)-1,2,4-triazol-1-yl]-3-phenylpyridin-2-yl] methyl carbonate Traditional Name: carbonic acid [4-[5-butyl-3-(2-cyclohexylethyl)-1,2,4-triazol-1-yl]-3-phenyl-2-pyridyl] methyl ester Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1C2=C(C(=NC=C2)OC(=O)OC)C3=CC=CC=C3)CCC4CCCCC4

Isomeric SMILES

CCCCC1=NC(=NN1C2=C(C(=NC=C2)OC(=O)OC)C3=CC=CC=C3)CCC4CCCCC4

InChI

InChI=1S/C27H34N4O3/c1-3-4-15-24-29-23(17-16-20-11-7-5-8-12-20)30-31(24)22-18-19-28-26(34-27(32)33-2)25(22)21-13-9-6-10-14-21/h6,9-10,13-14,18-20H,3-5,7-8,11-12,15-17H2,1-2H3