(1,3-diphenylpyrazol-4-yl)methyl 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C27H25N3O3S/c31-26(24-12-7-17-34-24)29-15-13-21(14-16-29)27(32)33-19-22-18-30(23-10-5-2-6-11-23)28-25(22)20-8-3-1-4-9-20/h1-12,17-18,21H,13-16,19H2