(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-fluorobenzoyl)nipecotic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C25H23FN4O3 MolecularWeight: 446.473523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C25H23FN4O3/c1-17-22(14-27)23(30(28-17)21-7-3-2-4-8-21)16-33-25(32)19-6-5-13-29(15-19)24(31)18-9-11-20(26)12-10-18/h2-4,7-12,19H,5-6,13,15-16H2,1H3