ethyl 4-[4-[5-[(4-fluorophenyl)carbonylamino]pyridin-2-yl]piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-[5-[(4-fluorophenyl)carbonylamino]pyridin-2-yl]piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-[5-[(4-fluorobenzoyl)amino]-2-pyridyl]piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[5-[[(4-fluorophenyl)-oxomethyl]amino]-2-pyridinyl]-1-piperazinyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[5-[(4-fluorobenzoyl)amino]pyridin-2-yl]piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-[5-[(4-fluorobenzoyl)amino]-2-pyridyl]piperazino]-4-keto-butyric acid ethyl ester Formula: C22H25FN4O4 MolecularWeight: 428.456703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN4O4/c1-2-31-21(29)10-9-20(28)27-13-11-26(12-14-27)19-8-7-18(15-24-19)25-22(30)16-3-5-17(23)6-4-16/h3-8,15H,2,9-14H2,1H3,(H,25,30)