ethyl 4-[(2S)-2-(4-bromanyl-5-methyl-pyrazol-1-yl)propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-2-(4-bromanyl-5-methyl-pyrazol-1-yl)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2S)-2-(4-bromo-5-methyl-pyrazol-1-yl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-2-(4-bromo-5-methyl-1-pyrazolyl)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-(4-bromo-5-methylpyrazol-1-yl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-(4-bromo-5-methyl-pyrazol-1-yl)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C14H21BrN4O3 MolecularWeight: 373.24554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C)N2C(=C(C=N2)Br)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](C)N2C(=C(C=N2)Br)C

InChI

InChI=1S/C14H21BrN4O3/c1-4-22-14(21)18-7-5-17(6-8-18)13(20)11(3)19-10(2)12(15)9-16-19/h9,11H,4-8H2,1-3H3/t11-/m0/s1