ethyl 4-[(3-fluorophenyl)methyl]-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidine-4-carboxylate CAS Name: 4-[(3-fluorophenyl)methyl]-1-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxylate Traditional Name: 4-(3-fluorobenzyl)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]isonipecotic acid ethyl ester Formula: C23H32FN3O2 MolecularWeight: 401.517483

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)CN2CCC(CC2)(CC3=CC(=CC=C3)F)C(=O)OCC

Isomeric SMILES

CCCN1C=C(C(=N1)C)CN2CCC(CC2)(CC3=CC(=CC=C3)F)C(=O)OCC

InChI

InChI=1S/C23H32FN3O2/c1-4-11-27-17-20(18(3)25-27)16-26-12-9-23(10-13-26,22(28)29-5-2)15-19-7-6-8-21(24)14-19/h6-8,14,17H,4-5,9-13,15-16H2,1-3H3