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

Systemtic Name: ethyl 4-[2-[1-[(3-fluorophenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-[(3-fluorophenyl)methyl]-3-oxo-piperazin-2-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[1-[(3-fluorophenyl)methyl]-3-oxo-2-piperazinyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-(3-fluorobenzyl)-3-keto-piperazin-2-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H27FN4O4 MolecularWeight: 406.451183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC2C(=O)NCCN2CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC2C(=O)NCCN2CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H27FN4O4/c1-2-29-20(28)24-10-8-23(9-11-24)18(26)13-17-19(27)22-6-7-25(17)14-15-4-3-5-16(21)12-15/h3-5,12,17H,2,6-11,13-14H2,1H3,(H,22,27)