ethyl 3-oxidanylidene-3-[4-(piperazin-1-ylmethyl)-1-pyridin-4-yl-piperidin-2-yl]propanoate

Systemtic Name: ethyl 3-oxidanylidene-3-[4-(piperazin-1-ylmethyl)-1-pyridin-4-yl-piperidin-2-yl]propanoate Openeye Name: ethyl 3-oxo-3-[4-(piperazin-1-ylmethyl)-1-(4-pyridyl)-2-piperidyl]propanoate CAS Name: 3-oxo-3-[4-(1-piperazinylmethyl)-1-pyridin-4-yl-2-piperidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-3-[4-(piperazin-1-ylmethyl)-1-pyridin-4-ylpiperidin-2-yl]propanoate Traditional Name: 3-keto-3-[4-(piperazinomethyl)-1-(4-pyridyl)-2-piperidyl]propionic acid ethyl ester Formula: C20H30N4O3 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C1CC(CCN1C2=CC=NC=C2)CN3CCNCC3

Isomeric SMILES

CCOC(=O)CC(=O)C1CC(CCN1C2=CC=NC=C2)CN3CCNCC3

InChI

InChI=1S/C20H30N4O3/c1-2-27-20(26)14-19(25)18-13-16(15-23-11-8-22-9-12-23)5-10-24(18)17-3-6-21-7-4-17/h3-4,6-7,16,18,22H,2,5,8-15H2,1H3