ethyl 1-[4-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]carbonylphenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]carbonylphenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[4-(5-bromo-2-pyridyl)piperazine-1-carbonyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[4-(5-bromopyridin-2-yl)piperazine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[4-(5-bromo-2-pyridyl)piperazine-1-carbonyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C23H24BrN5O3 MolecularWeight: 498.37236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)Br)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)Br)C

InChI

InChI=1S/C23H24BrN5O3/c1-3-32-23(31)20-15-26-29(16(20)2)19-7-4-17(5-8-19)22(30)28-12-10-27(11-13-28)21-9-6-18(24)14-25-21/h4-9,14-15H,3,10-13H2,1-2H3