methyl 1-[2-[1-[(4-fluorophenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[1-[(4-fluorophenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[1-[(4-fluorophenyl)methyl]-3-oxo-piperazin-2-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[1-[(4-fluorophenyl)methyl]-3-oxo-2-piperazinyl]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[1-(4-fluorobenzyl)-3-keto-piperazin-2-yl]acetyl]isonipecotic acid methyl ester Formula: C20H26FN3O4 MolecularWeight: 391.436543

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CC2C(=O)NCCN2CC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CC2C(=O)NCCN2CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H26FN3O4/c1-28-20(27)15-6-9-23(10-7-15)18(25)12-17-19(26)22-8-11-24(17)13-14-2-4-16(21)5-3-14/h2-5,15,17H,6-13H2,1H3,(H,22,26)