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

Systemtic Name: ethyl 4-[2-[3-methyl-4-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]pyrazol-1-yl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[3-methyl-4-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]pyrazol-1-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[3-methyl-4-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]-1-pyrazolyl]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-methyl-4-[2-(5-methyl-3-nitropyrazol-1-yl)butanoylamino]pyrazol-1-yl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-methyl-4-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]pyrazol-1-yl]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H32N8O6 MolecularWeight: 504.53948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CN(N=C1C)C(C)C(=O)N2CCN(CC2)C(=O)OCC)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=CN(N=C1C)C(C)C(=O)N2CCN(CC2)C(=O)OCC)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C22H32N8O6/c1-6-18(29-14(3)12-19(25-29)30(34)35)20(31)23-17-13-28(24-15(17)4)16(5)21(32)26-8-10-27(11-9-26)22(33)36-7-2/h12-13,16,18H,6-11H2,1-5H3,(H,23,31)