pentan-2-yl 6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole-7-carboxylate

Systemtic Name: pentan-2-yl 6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole-7-carboxylate Openeye Name: 1-methylbutyl 6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole-7-carboxylate CAS Name: 6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole-7-carboxylic acid pentan-2-yl ester IUPAC Name: pentan-2-yl 6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole-7-carboxylate Traditional Name: 6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole-7-carboxylic acid 1-methylbutyl ester Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC(=O)C1=C(NN2C1=NN=C2)C3=CC=CC=C3

Isomeric SMILES

CCCC(C)OC(=O)C1=C(NN2C1=NN=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H18N4O2/c1-3-7-11(2)22-16(21)13-14(12-8-5-4-6-9-12)19-20-10-17-18-15(13)20/h4-6,8-11,19H,3,7H2,1-2H3