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

Systemtic Name: ethyl 4-[2-[4-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-[[3-(4-bromo-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-methyl-1-pyrazolyl]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H27BrN8O6 MolecularWeight: 555.38238

Click to see the large picture

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)[N+](=O)[O-])Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(C)N2C=C(C(=N2)C)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C20H27BrN8O6/c1-4-35-20(32)26-9-7-25(8-10-26)19(31)14(3)28-12-16(13(2)23-28)22-17(30)5-6-27-11-15(21)18(24-27)29(33)34/h11-12,14H,4-10H2,1-3H3,(H,22,30)