ethyl 2-[[3-[3-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[3-[3-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[3-[3-oxo-3-[4-(2-pyridyl)piperazin-1-yl]propyl]piperidine-1-carbonyl]amino]acetate CAS Name: 2-[[oxo-[3-[3-oxo-3-[4-(2-pyridinyl)-1-piperazinyl]propyl]-1-piperidinyl]methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidine-1-carbonyl]amino]acetate Traditional Name: 2-[[3-[3-keto-3-[4-(2-pyridyl)piperazino]propyl]piperidine-1-carbonyl]amino]acetic acid ethyl ester Formula: C22H33N5O4 MolecularWeight: 431.52852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N1CCCC(C1)CCC(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)CNC(=O)N1CCCC(C1)CCC(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C22H33N5O4/c1-2-31-21(29)16-24-22(30)27-11-5-6-18(17-27)8-9-20(28)26-14-12-25(13-15-26)19-7-3-4-10-23-19/h3-4,7,10,18H,2,5-6,8-9,11-17H2,1H3,(H,24,30)