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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-yl)-6-(cyclooctylcarbamoyl)-6-methyl-4-oxidanylidene-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-yl)-6-(cyclooctylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate CAS Name: 5-(1,3-benzodioxol-5-yl)-6-[(cyclooctylamino)-oxomethyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-yl)-6-(cyclooctylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate Traditional Name: 5-(1,3-benzodioxol-5-yl)-6-(cyclooctylcarbamoyl)-4-keto-6-methyl-7H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid ethyl ester Formula: C26H32N4O6 MolecularWeight: 496.55548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN2CC(N(C(=O)C2=C1)C3=CC4=C(C=C3)OCO4)(C)C(=O)NC5CCCCCCC5

Isomeric SMILES

CCOC(=O)C1=NN2CC(N(C(=O)C2=C1)C3=CC4=C(C=C3)OCO4)(C)C(=O)NC5CCCCCCC5

InChI

InChI=1S/C26H32N4O6/c1-3-34-24(32)19-14-20-23(31)30(18-11-12-21-22(13-18)36-16-35-21)26(2,15-29(20)28-19)25(33)27-17-9-7-5-4-6-8-10-17/h11-14,17H,3-10,15-16H2,1-2H3,(H,27,33)