ethyl 6-(cyclooctylcarbamoyl)-5-(2-fluorophenyl)-6-methyl-4-oxidanylidene-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

Systemtic Name: ethyl 6-(cyclooctylcarbamoyl)-5-(2-fluorophenyl)-6-methyl-4-oxidanylidene-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate Openeye Name: ethyl 6-(cyclooctylcarbamoyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate CAS Name: 6-[(cyclooctylamino)-oxomethyl]-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(cyclooctylcarbamoyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate Traditional Name: 6-(cyclooctylcarbamoyl)-5-(2-fluorophenyl)-4-keto-6-methyl-7H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid ethyl ester Formula: C25H31FN4O4 MolecularWeight: 470.536443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN2CC(N(C(=O)C2=C1)C3=CC=CC=C3F)(C)C(=O)NC4CCCCCCC4

Isomeric SMILES

CCOC(=O)C1=NN2CC(N(C(=O)C2=C1)C3=CC=CC=C3F)(C)C(=O)NC4CCCCCCC4

InChI

InChI=1S/C25H31FN4O4/c1-3-34-23(32)19-15-21-22(31)30(20-14-10-9-13-18(20)26)25(2,16-29(21)28-19)24(33)27-17-11-7-5-4-6-8-12-17/h9-10,13-15,17H,3-8,11-12,16H2,1-2H3,(H,27,33)