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

Systemtic Name: ethyl 4-[2-[4-[3-(4-iodanyl-5-methyl-pyrazol-1-yl)propanoylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-[3-(4-iodo-5-methyl-pyrazol-1-yl)propanoylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-[[3-(4-iodo-5-methyl-1-pyrazolyl)-1-oxopropyl]amino]-3-methyl-1-pyrazolyl]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-[3-(4-iodo-5-methylpyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-[3-(4-iodo-5-methyl-pyrazol-1-yl)propanoylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H30IN7O4 MolecularWeight: 571.41187

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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)CCN3C(=C(C=N3)I)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(C)N2C=C(C(=N2)C)NC(=O)CCN3C(=C(C=N3)I)C

InChI

InChI=1S/C21H30IN7O4/c1-5-33-21(32)27-10-8-26(9-11-27)20(31)16(4)29-13-18(14(2)25-29)24-19(30)6-7-28-15(3)17(22)12-23-28/h12-13,16H,5-11H2,1-4H3,(H,24,30)