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

Systemtic Name: ethyl 6-(cyclooctylcarbamoyl)-5-[(4-ethylphenyl)methyl]-6-methyl-4-oxidanylidene-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate Openeye Name: ethyl 6-(cyclooctylcarbamoyl)-5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate CAS Name: 6-[(cyclooctylamino)-oxomethyl]-5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(cyclooctylcarbamoyl)-5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate Traditional Name: 6-(cyclooctylcarbamoyl)-5-(4-ethylbenzyl)-4-keto-6-methyl-7H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid ethyl ester Formula: C28H38N4O4 MolecularWeight: 494.62572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C(=O)C3=CC(=NN3CC2(C)C(=O)NC4CCCCCCC4)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C(=O)C3=CC(=NN3CC2(C)C(=O)NC4CCCCCCC4)C(=O)OCC

InChI

InChI=1S/C28H38N4O4/c1-4-20-13-15-21(16-14-20)18-31-25(33)24-17-23(26(34)36-5-2)30-32(24)19-28(31,3)27(35)29-22-11-9-7-6-8-10-12-22/h13-17,22H,4-12,18-19H2,1-3H3,(H,29,35)