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

Systemtic Name: [4-[5-butyl-3-(2-phenylethanoyl)-1,2,4-triazol-1-yl]-3-phenyl-pyridin-2-yl] methyl carbonate Openeye Name: [4-[5-butyl-3-(2-phenylacetyl)-1,2,4-triazol-1-yl]-3-phenyl-2-pyridyl] methyl carbonate CAS Name: carbonic acid [4-[5-butyl-3-(1-oxo-2-phenylethyl)-1,2,4-triazol-1-yl]-3-phenyl-2-pyridinyl] methyl ester IUPAC Name: [4-[5-butyl-3-(2-phenylacetyl)-1,2,4-triazol-1-yl]-3-phenylpyridin-2-yl] methyl carbonate Traditional Name: carbonic acid [4-[5-butyl-3-(2-phenylacetyl)-1,2,4-triazol-1-yl]-3-phenyl-2-pyridyl] methyl ester Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1C2=C(C(=NC=C2)OC(=O)OC)C3=CC=CC=C3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC(=NN1C2=C(C(=NC=C2)OC(=O)OC)C3=CC=CC=C3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O4/c1-3-4-15-23-29-25(22(32)18-19-11-7-5-8-12-19)30-31(23)21-16-17-28-26(35-27(33)34-2)24(21)20-13-9-6-10-14-20/h5-14,16-17H,3-4,15,18H2,1-2H3