(4-pyrazol-1-ylphenyl)methyl 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 1-(4-bromobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-bromophenyl)-oxomethyl]-4-piperidinecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 1-(4-bromobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-bromobenzoyl)isonipecotic acid (4-pyrazol-1-ylbenzyl) ester Formula: C23H22BrN3O3 MolecularWeight: 468.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H22BrN3O3/c24-20-6-4-18(5-7-20)22(28)26-14-10-19(11-15-26)23(29)30-16-17-2-8-21(9-3-17)27-13-1-12-25-27/h1-9,12-13,19H,10-11,14-16H2