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

Systemtic Name: [4-(3-butanoyl-5-butyl-1,2,4-triazol-1-yl)-3-phenyl-pyridin-2-yl] methyl carbonate Openeye Name: [4-(3-butanoyl-5-butyl-1,2,4-triazol-1-yl)-3-phenyl-2-pyridyl] methyl carbonate CAS Name: carbonic acid [4-[5-butyl-3-(1-oxobutyl)-1,2,4-triazol-1-yl]-3-phenyl-2-pyridinyl] methyl ester IUPAC Name: [4-(3-butanoyl-5-butyl-1,2,4-triazol-1-yl)-3-phenylpyridin-2-yl] methyl carbonate Traditional Name: carbonic acid [4-(5-butyl-3-butyryl-1,2,4-triazol-1-yl)-3-phenyl-2-pyridyl] methyl ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4/c1-4-6-13-19-25-21(18(28)10-5-2)26-27(19)17-14-15-24-22(31-23(29)30-3)20(17)16-11-8-7-9-12-16/h7-9,11-12,14-15H,4-6,10,13H2,1-3H3