ethyl 2-[(4-fluorophenyl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoyl]amino]ethanoate

Systemtic Name: ethyl 2-[(4-fluorophenyl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoyl]amino]ethanoate Openeye Name: ethyl 2-[4-fluoro-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoyl]anilino]acetate CAS Name: 2-(4-fluoro-N-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]anilino)acetic acid ethyl ester IUPAC Name: ethyl 2-[4-fluoro-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoyl]anilino]acetate Traditional Name: 2-[4-fluoro-N-[2-[4-(2-pyrimidyl)piperazino]propanoyl]anilino]acetic acid ethyl ester Formula: C21H26FN5O3 MolecularWeight: 415.461243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=C(C=C1)F)C(=O)C(C)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)CN(C1=CC=C(C=C1)F)C(=O)C(C)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H26FN5O3/c1-3-30-19(28)15-27(18-7-5-17(22)6-8-18)20(29)16(2)25-11-13-26(14-12-25)21-23-9-4-10-24-21/h4-10,16H,3,11-15H2,1-2H3