ethyl 5-azanyl-4-[[3-(4-ethanoylpiperazin-1-yl)phenyl]amino]-2-fluoranyl-benzoate

Systemtic Name: ethyl 5-azanyl-4-[[3-(4-ethanoylpiperazin-1-yl)phenyl]amino]-2-fluoranyl-benzoate Openeye Name: ethyl 4-[3-(4-acetylpiperazin-1-yl)anilino]-5-amino-2-fluoro-benzoate CAS Name: 4-[3-(4-acetyl-1-piperazinyl)anilino]-5-amino-2-fluorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-acetylpiperazin-1-yl)anilino]-5-amino-2-fluorobenzoate Traditional Name: 4-[3-(4-acetylpiperazino)anilino]-5-amino-2-fluoro-benzoic acid ethyl ester Formula: C21H25FN4O3 MolecularWeight: 400.446603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1F)NC2=CC=CC(=C2)N3CCN(CC3)C(=O)C)N

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1F)NC2=CC=CC(=C2)N3CCN(CC3)C(=O)C)N

InChI

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