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

Systemtic Name: ethyl 4-[2-[4-[2-(4-bromanyl-5-methyl-pyrazol-1-yl)propanoylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-[2-(4-bromo-5-methyl-pyrazol-1-yl)propanoylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-[[2-(4-bromo-5-methyl-1-pyrazolyl)-1-oxopropyl]amino]-3-methyl-1-pyrazolyl]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-[2-(4-bromo-5-methyl-pyrazol-1-yl)propanoylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H30BrN7O4 MolecularWeight: 524.4114

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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)C(C)N3C(=C(C=N3)Br)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(C)N2C=C(C(=N2)C)NC(=O)C(C)N3C(=C(C=N3)Br)C

InChI

InChI=1S/C21H30BrN7O4/c1-6-33-21(32)27-9-7-26(8-10-27)20(31)16(5)28-12-18(13(2)25-28)24-19(30)15(4)29-14(3)17(22)11-23-29/h11-12,15-16H,6-10H2,1-5H3,(H,24,30)