methyl 4-phenyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 4-phenyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxylate Openeye Name: methyl 4-phenyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-3-(1-phenyl-4-pyrazolyl)propyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 4-phenyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]isonipecotic acid methyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)CCC2=CN(N=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)CCC2=CN(N=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-31-24(30)25(21-8-4-2-5-9-21)14-16-27(17-15-25)23(29)13-12-20-18-26-28(19-20)22-10-6-3-7-11-22/h2-11,18-19H,12-17H2,1H3