phenyl 1-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl]-4-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: phenyl 1-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl]-4-(phenylmethyl)piperidine-4-carboxylate Openeye Name: phenyl 4-benzyl-1-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolyl)methyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-benzyl-1-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]piperidine-4-carboxylate Traditional Name: 4-benzyl-1-[(4-bromo-5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)methyl]isonipecotic acid phenyl ester Formula: C30H30BrN3O3 MolecularWeight: 560.4815

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CN3CCC(CC3)(CC4=CC=CC=C4)C(=O)OC5=CC=CC=C5

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CN3CCC(CC3)(CC4=CC=CC=C4)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C30H30BrN3O3/c1-32-26(27(31)28(35)34(32)24-13-7-3-8-14-24)22-33-19-17-30(18-20-33,21-23-11-5-2-6-12-23)29(36)37-25-15-9-4-10-16-25/h2-16H,17-22H2,1H3