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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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