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

Systemtic Name: ethyl 4-[2-[3-methyl-4-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazol-1-yl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[3-methyl-4-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazol-1-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[3-methyl-4-[[2-(4-nitro-1-pyrazolyl)-1-oxobutyl]amino]-1-pyrazolyl]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-methyl-4-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazol-1-yl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-methyl-4-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazol-1-yl]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H30N8O6 MolecularWeight: 490.5129

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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=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H30N8O6/c1-5-18(28-12-16(11-22-28)29(33)34)19(30)23-17-13-27(24-14(17)3)15(4)20(31)25-7-9-26(10-8-25)21(32)35-6-2/h11-13,15,18H,5-10H2,1-4H3,(H,23,30)