ethyl 4-[(3-fluorophenyl)methyl]-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidine-4-carboxylate CAS Name: 4-[(3-fluorophenyl)methyl]-1-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxylate Traditional Name: 4-(3-fluorobenzyl)-1-[(5-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)CN2CCC(CC2)(CC3=CC(=CC=C3)F)C(=O)OCC)C

Isomeric SMILES

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

InChI

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