ethyl 5-[4-[(2-bromophenyl)methyl]piperazin-1-yl]carbonyl-2-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[4-[(2-bromophenyl)methyl]piperazin-1-yl]carbonyl-2-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[4-[(2-bromophenyl)methyl]piperazine-1-carbonyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[[4-[(2-bromophenyl)methyl]-1-piperazinyl]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[(2-bromophenyl)methyl]piperazine-1-carbonyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[4-(2-bromobenzyl)piperazine-1-carbonyl]-2-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C19H23BrN4O3 MolecularWeight: 435.31492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C)C(=O)N2CCN(CC2)CC3=CC=CC=C3Br

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)N2CCN(CC2)CC3=CC=CC=C3Br

InChI

InChI=1S/C19H23BrN4O3/c1-3-27-19(26)17-12-16(21-22(17)2)18(25)24-10-8-23(9-11-24)13-14-6-4-5-7-15(14)20/h4-7,12H,3,8-11,13H2,1-2H3