[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid [2-[1-(4-fluorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C25H27FN4O3 MolecularWeight: 450.505283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=C(C=C2)F)C)C(=O)COC(=O)C3CCCCN3C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=C(C=C2)F)C)C(=O)COC(=O)C3CCCCN3C4=NC=CC=N4

InChI

InChI=1S/C25H27FN4O3/c1-17-14-21(18(2)30(17)15-19-7-9-20(26)10-8-19)23(31)16-33-24(32)22-6-3-4-13-29(22)25-27-11-5-12-28-25/h5,7-12,14,22H,3-4,6,13,15-16H2,1-2H3