methyl 1-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]carbonyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]carbonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)benzoyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[[4-(4-bromo-3,5-dimethyl-1-pyrazolyl)phenyl]-oxomethyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)benzoyl]-4-phenyl-isonipecotic acid methyl ester Formula: C25H26BrN3O3 MolecularWeight: 496.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)OC)C)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)OC)C)Br

InChI

InChI=1S/C25H26BrN3O3/c1-17-22(26)18(2)29(27-17)21-11-9-19(10-12-21)23(30)28-15-13-25(14-16-28,24(31)32-3)20-7-5-4-6-8-20/h4-12H,13-16H2,1-3H3