ethyl 2-[1-[2-[3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-2-yl]ethanoylamino]cyclohexyl]ethanoate

Systemtic Name: ethyl 2-[1-[2-[3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-2-yl]ethanoylamino]cyclohexyl]ethanoate Openeye Name: ethyl 2-[1-[[2-[3-oxo-1-(3-pyridylmethyl)piperazin-2-yl]acetyl]amino]cyclohexyl]acetate CAS Name: 2-[1-[[1-oxo-2-[3-oxo-1-(3-pyridinylmethyl)-2-piperazinyl]ethyl]amino]cyclohexyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[[2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]acetyl]amino]cyclohexyl]acetate Traditional Name: 2-[1-[[2-[3-keto-1-(3-pyridylmethyl)piperazin-2-yl]acetyl]amino]cyclohexyl]acetic acid ethyl ester Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CCCCC1)NC(=O)CC2C(=O)NCCN2CC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CC1(CCCCC1)NC(=O)CC2C(=O)NCCN2CC3=CN=CC=C3

InChI

InChI=1S/C22H32N4O4/c1-2-30-20(28)14-22(8-4-3-5-9-22)25-19(27)13-18-21(29)24-11-12-26(18)16-17-7-6-10-23-15-17/h6-7,10,15,18H,2-5,8-9,11-14,16H2,1H3,(H,24,29)(H,25,27)