ethyl 1-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-(4-bromophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C19H22BrN3O3 MolecularWeight: 420.30028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C19H22BrN3O3/c1-3-26-19(25)14-5-4-10-22(12-14)18(24)17-11-21-23(13(17)2)16-8-6-15(20)7-9-16/h6-9,11,14H,3-5,10,12H2,1-2H3