2-(4-methylpiperazin-1-yl)ethyl 5-azanyl-1-(2,2-diethoxyethyl)pyrazole-4-carboxylate

Systemtic Name: 2-(4-methylpiperazin-1-yl)ethyl 5-azanyl-1-(2,2-diethoxyethyl)pyrazole-4-carboxylate Openeye Name: 2-(4-methylpiperazin-1-yl)ethyl 5-amino-1-(2,2-diethoxyethyl)pyrazole-4-carboxylate CAS Name: 5-amino-1-(2,2-diethoxyethyl)-4-pyrazolecarboxylic acid 2-(4-methyl-1-piperazinyl)ethyl ester IUPAC Name: 2-(4-methylpiperazin-1-yl)ethyl 5-amino-1-(2,2-diethoxyethyl)pyrazole-4-carboxylate Traditional Name: 5-amino-1-(2,2-diethoxyethyl)pyrazole-4-carboxylic acid 2-(4-methylpiperazino)ethyl ester Formula: C17H31N5O4 MolecularWeight: 369.45914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN1C(=C(C=N1)C(=O)OCCN2CCN(CC2)C)N)OCC

Isomeric SMILES

CCOC(CN1C(=C(C=N1)C(=O)OCCN2CCN(CC2)C)N)OCC

InChI

InChI=1S/C17H31N5O4/c1-4-24-15(25-5-2)13-22-16(18)14(12-19-22)17(23)26-11-10-21-8-6-20(3)7-9-21/h12,15H,4-11,13,18H2,1-3H3