[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2,6-dimethylquinoline-3-carboxylate

Systemtic Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2,6-dimethylquinoline-3-carboxylate Openeye Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 2,6-dimethylquinoline-3-carboxylate CAS Name: 2,6-dimethyl-3-quinolinecarboxylic acid [2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate Traditional Name: 2,6-dimethylquinoline-3-carboxylic acid [2-[4-(2-fluorobenzyl)piperazino]-2-keto-ethyl] ester Formula: C25H26FN3O3 MolecularWeight: 435.490643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4F

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4F

InChI

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