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

Systemtic Name: ethyl 6-(cyclooctylcarbamoyl)-5-(3-ethylphenyl)-6-methyl-4-oxidanylidene-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate Openeye Name: ethyl 6-(cyclooctylcarbamoyl)-5-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate CAS Name: 6-[(cyclooctylamino)-oxomethyl]-5-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(cyclooctylcarbamoyl)-5-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate Traditional Name: 6-(cyclooctylcarbamoyl)-5-(3-ethylphenyl)-4-keto-6-methyl-7H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid ethyl ester Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N2C(=O)C3=CC(=NN3CC2(C)C(=O)NC4CCCCCCC4)C(=O)OCC

Isomeric SMILES

CCC1=CC(=CC=C1)N2C(=O)C3=CC(=NN3CC2(C)C(=O)NC4CCCCCCC4)C(=O)OCC

InChI

InChI=1S/C27H36N4O4/c1-4-19-12-11-15-21(16-19)31-24(32)23-17-22(25(33)35-5-2)29-30(23)18-27(31,3)26(34)28-20-13-9-7-6-8-10-14-20/h11-12,15-17,20H,4-10,13-14,18H2,1-3H3,(H,28,34)