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

Systemtic Name: ethyl 4-[2-[4-[(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)carbonylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-[(4-bromo-1,5-dimethyl-pyrazole-3-carbonyl)amino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-[[(4-bromo-1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-methyl-1-pyrazolyl]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-[(4-bromo-1,5-dimethyl-pyrazole-3-carbonyl)amino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H28BrN7O4 MolecularWeight: 510.38482

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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)C3=NN(C(=C3Br)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(C)N2C=C(C(=N2)C)NC(=O)C3=NN(C(=C3Br)C)C

InChI

InChI=1S/C20H28BrN7O4/c1-6-32-20(31)27-9-7-26(8-10-27)19(30)14(4)28-11-15(12(2)23-28)22-18(29)17-16(21)13(3)25(5)24-17/h11,14H,6-10H2,1-5H3,(H,22,29)