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

Systemtic Name: ethyl 4-[2-[4-[2-(4-bromanylpyrazol-1-yl)ethanoylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-[[2-(4-bromo-1-pyrazolyl)-1-oxoethyl]amino]-3-methyl-1-pyrazolyl]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H26BrN7O4 MolecularWeight: 496.35824

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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)CN3C=C(C=N3)Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(C)N2C=C(C(=N2)C)NC(=O)CN3C=C(C=N3)Br

InChI

InChI=1S/C19H26BrN7O4/c1-4-31-19(30)25-7-5-24(6-8-25)18(29)14(3)27-11-16(13(2)23-27)22-17(28)12-26-10-15(20)9-21-26/h9-11,14H,4-8,12H2,1-3H3,(H,22,28)