(1-phenylpyrazol-4-yl)methyl 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CN(N=C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CN(N=C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Br

InChI

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