ethyl 4-[4-(5-fluoranylpyrimidin-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)carbonyl-butanoate

Systemtic Name: ethyl 4-[4-(5-fluoranylpyrimidin-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)carbonyl-butanoate Openeye Name: ethyl 2-(4-fluorobenzoyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butanoate CAS Name: 2-[(4-fluorophenyl)-oxomethyl]-4-[4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-(4-fluorobenzoyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butanoate Traditional Name: 2-(4-fluorobenzoyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazino]butyric acid ethyl ester Formula: C21H24F2N4O3 MolecularWeight: 418.437066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCN1CCN(CC1)C2=NC=C(C=N2)F)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C(CCN1CCN(CC1)C2=NC=C(C=N2)F)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24F2N4O3/c1-2-30-20(29)18(19(28)15-3-5-16(22)6-4-15)7-8-26-9-11-27(12-10-26)21-24-13-17(23)14-25-21/h3-6,13-14,18H,2,7-12H2,1H3