ethyl 3-[(2-fluorophenyl)methyl]-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(2-fluorophenyl)methyl]-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(2-fluorophenyl)methyl]-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidine-3-carboxylate CAS Name: 3-[(2-fluorophenyl)methyl]-1-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-fluorophenyl)methyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylate Traditional Name: 3-(2-fluorobenzyl)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]nipecotic acid ethyl ester Formula: C23H32FN3O2 MolecularWeight: 401.517483

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)CN2CCCC(C2)(CC3=CC=CC=C3F)C(=O)OCC)C

Isomeric SMILES

CCCN1C(=C(C=N1)CN2CCCC(C2)(CC3=CC=CC=C3F)C(=O)OCC)C

InChI

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