[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-4-pyrazolecarboxylic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C25H26FN3O4 MolecularWeight: 451.490043

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CN(N=C2C3=CC(=CC=C3)OC)C4=CC=C(C=C4)F

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=CN(N=C2C3=CC(=CC=C3)OC)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H26FN3O4/c1-17-5-4-12-28(14-17)23(30)16-33-25(31)22-15-29(20-10-8-19(26)9-11-20)27-24(22)18-6-3-7-21(13-18)32-2/h3,6-11,13,15,17H,4-5,12,14,16H2,1-2H3