ethyl 4-[2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-2-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-2-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2R)-3-oxo-1-(2-pyridylmethyl)piperazin-2-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[(2R)-3-oxo-1-(2-pyridinylmethyl)-2-piperazinyl]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2R)-3-keto-1-(2-pyridylmethyl)piperazin-2-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H27N5O4 MolecularWeight: 389.44878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC2C(=O)NCCN2CC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C[C@@H]2C(=O)NCCN2CC3=CC=CC=N3

InChI

InChI=1S/C19H27N5O4/c1-2-28-19(27)23-11-9-22(10-12-23)17(25)13-16-18(26)21-7-8-24(16)14-15-5-3-4-6-20-15/h3-6,16H,2,7-14H2,1H3,(H,21,26)/t16-/m1/s1