ethyl 6-(cyclooctylcarbamoyl)-5-(3-fluoranyl-4-methyl-phenyl)-6-methyl-4-oxidanylidene-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

Systemtic Name: ethyl 6-(cyclooctylcarbamoyl)-5-(3-fluoranyl-4-methyl-phenyl)-6-methyl-4-oxidanylidene-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate Openeye Name: ethyl 6-(cyclooctylcarbamoyl)-5-(3-fluoro-4-methyl-phenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate CAS Name: 6-[(cyclooctylamino)-oxomethyl]-5-(3-fluoro-4-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(cyclooctylcarbamoyl)-5-(3-fluoro-4-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate Traditional Name: 6-(cyclooctylcarbamoyl)-5-(3-fluoro-4-methyl-phenyl)-4-keto-6-methyl-7H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid ethyl ester Formula: C26H33FN4O4 MolecularWeight: 484.563023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33FN4O4/c1-4-35-24(33)21-15-22-23(32)31(19-13-12-17(2)20(27)14-19)26(3,16-30(22)29-21)25(34)28-18-10-8-6-5-7-9-11-18/h12-15,18H,4-11,16H2,1-3H3,(H,28,34)