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

Systemtic Name: ethyl 1-[2-[1-[(4-fluorophenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H28FN3O4 MolecularWeight: 405.463123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28FN3O4/c1-2-29-21(28)16-7-10-24(11-8-16)19(26)13-18-20(27)23-9-12-25(18)14-15-3-5-17(22)6-4-15/h3-6,16,18H,2,7-14H2,1H3,(H,23,27)