ethyl 3-but-2-ynyl-4-oxidanylidene-2-piperazin-1-yl-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate

Systemtic Name: ethyl 3-but-2-ynyl-4-oxidanylidene-2-piperazin-1-yl-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate Openeye Name: ethyl 3-but-2-ynyl-4-oxo-2-piperazin-1-yl-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate CAS Name: 3-but-2-ynyl-4-oxo-2-(1-piperazinyl)-5H-pyrazolo[1,5-a]pyrazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-but-2-ynyl-4-oxo-2-piperazin-1-yl-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate Traditional Name: 3-but-2-ynyl-4-keto-2-piperazino-5H-pyrazolo[1,5-a]pyrazine-6-carboxylic acid ethyl ester Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN2C(=C(C(=N2)N3CCNCC3)CC#CC)C(=O)N1

Isomeric SMILES

CCOC(=O)C1=CN2C(=C(C(=N2)N3CCNCC3)CC#CC)C(=O)N1

InChI

InChI=1S/C17H21N5O3/c1-3-5-6-12-14-16(23)19-13(17(24)25-4-2)11-22(14)20-15(12)21-9-7-18-8-10-21/h11,18H,4,6-10H2,1-2H3,(H,19,23)