7-(4-bromanyl-1-ethyl-pyrazol-3-yl)-N-octadecyl-pyrazolo[1,5-a]pyrimidine-2-carboxamide

Systemtic Name: 7-(4-bromanyl-1-ethyl-pyrazol-3-yl)-N-octadecyl-pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: 7-(4-bromo-1-ethyl-pyrazol-3-yl)-N-octadecyl-pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: 7-(4-bromo-1-ethyl-3-pyrazolyl)-N-octadecyl-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 7-(4-bromo-1-ethylpyrazol-3-yl)-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: 7-(4-bromo-1-ethyl-pyrazol-3-yl)-N-stearyl-pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C30H47BrN6O MolecularWeight: 587.63778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=NN2C(=CC=NC2=C1)C3=NN(C=C3Br)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=NN2C(=CC=NC2=C1)C3=NN(C=C3Br)CC

InChI

InChI=1S/C30H47BrN6O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-33-30(38)26-23-28-32-22-20-27(37(28)34-26)29-25(31)24-36(4-2)35-29/h20,22-24H,3-19,21H2,1-2H3,(H,33,38)