ethyl 4-[(3-fluorophenyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)carbonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(3-fluorophenyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)carbonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-[(3-fluorophenyl)methyl]-1-(1-isopropylpyrazole-4-carbonyl)piperidine-4-carboxylate CAS Name: 4-[(3-fluorophenyl)methyl]-1-[oxo-(1-propan-2-yl-4-pyrazolyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-fluorophenyl)methyl]-1-(1-propan-2-ylpyrazole-4-carbonyl)piperidine-4-carboxylate Traditional Name: 4-(3-fluorobenzyl)-1-(1-isopropylpyrazole-4-carbonyl)isonipecotic acid ethyl ester Formula: C22H28FN3O3 MolecularWeight: 401.474423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CN(N=C2)C(C)C)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CN(N=C2)C(C)C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C22H28FN3O3/c1-4-29-21(28)22(13-17-6-5-7-19(23)12-17)8-10-25(11-9-22)20(27)18-14-24-26(15-18)16(2)3/h5-7,12,14-16H,4,8-11,13H2,1-3H3