[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C25H26FN3O3 MolecularWeight: 435.490643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H26FN3O3/c1-18-16-23(19(2)29(18)22-10-8-20(26)9-11-22)25(31)32-17-24(30)28-14-12-27(13-15-28)21-6-4-3-5-7-21/h3-11,16H,12-15,17H2,1-2H3