azanyl 3-azanyl-4-[3-(4-ethanoylpiperazin-1-yl)phenyl]-2-ethyl-6-fluoranyl-benzoate

Systemtic Name: azanyl 3-azanyl-4-[3-(4-ethanoylpiperazin-1-yl)phenyl]-2-ethyl-6-fluoranyl-benzoate Openeye Name: amino 4-[3-(4-acetylpiperazin-1-yl)phenyl]-3-amino-2-ethyl-6-fluoro-benzoate CAS Name: 4-[3-(4-acetyl-1-piperazinyl)phenyl]-3-amino-2-ethyl-6-fluorobenzoic acid amino ester IUPAC Name: amino 4-[3-(4-acetylpiperazin-1-yl)phenyl]-3-amino-2-ethyl-6-fluorobenzoate Traditional Name: 4-[3-(4-acetylpiperazino)phenyl]-3-amino-2-ethyl-6-fluoro-benzoic acid amino ester Formula: C21H25FN4O3 MolecularWeight: 400.446603

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1C(=O)ON)F)C2=CC(=CC=C2)N3CCN(CC3)C(=O)C)N

Isomeric SMILES

CCC1=C(C(=CC(=C1C(=O)ON)F)C2=CC(=CC=C2)N3CCN(CC3)C(=O)C)N

InChI

InChI=1S/C21H25FN4O3/c1-3-16-19(21(28)29-24)18(22)12-17(20(16)23)14-5-4-6-15(11-14)26-9-7-25(8-10-26)13(2)27/h4-6,11-12H,3,7-10,23-24H2,1-2H3