(5-butyl-3-propan-2-yl-1,2,4-triazol-1-yl)methyl (3-phenylpyridin-2-yl) carbonate

Systemtic Name: (5-butyl-3-propan-2-yl-1,2,4-triazol-1-yl)methyl (3-phenylpyridin-2-yl) carbonate Openeye Name: (5-butyl-3-isopropyl-1,2,4-triazol-1-yl)methyl (3-phenyl-2-pyridyl) carbonate CAS Name: carbonic acid (5-butyl-3-propan-2-yl-1,2,4-triazol-1-yl)methyl (3-phenyl-2-pyridinyl) ester IUPAC Name: (5-butyl-3-propan-2-yl-1,2,4-triazol-1-yl)methyl (3-phenylpyridin-2-yl) carbonate Traditional Name: carbonic acid (5-butyl-3-isopropyl-1,2,4-triazol-1-yl)methyl (3-phenyl-2-pyridyl) ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1COC(=O)OC2=C(C=CC=N2)C3=CC=CC=C3)C(C)C

Isomeric SMILES

CCCCC1=NC(=NN1COC(=O)OC2=C(C=CC=N2)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C22H26N4O3/c1-4-5-13-19-24-20(16(2)3)25-26(19)15-28-22(27)29-21-18(12-9-14-23-21)17-10-7-6-8-11-17/h6-12,14,16H,4-5,13,15H2,1-3H3