ethyl 4-[2-[4-[(4-iodanyl-1H-pyrazol-5-yl)carbonylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-[(4-iodanyl-1H-pyrazol-5-yl)carbonylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-[(4-iodo-1H-pyrazole-5-carbonyl)amino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-[[(4-iodo-1H-pyrazol-5-yl)-oxomethyl]amino]-3-methyl-1-pyrazolyl]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-[(4-iodo-1H-pyrazole-5-carbonyl)amino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-[(4-iodo-1H-pyrazole-5-carbonyl)amino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H24IN7O4 MolecularWeight: 529.33213

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C)N2C=C(C(=N2)C)NC(=O)C3=C(C=NN3)I

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(C)N2C=C(C(=N2)C)NC(=O)C3=C(C=NN3)I

InChI

InChI=1S/C18H24IN7O4/c1-4-30-18(29)25-7-5-24(6-8-25)17(28)12(3)26-10-14(11(2)23-26)21-16(27)15-13(19)9-20-22-15/h9-10,12H,4-8H2,1-3H3,(H,20,22)(H,21,27)