[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxo-ethyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [2-[4-(4-ethyl-1-piperazinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [2-[4-(4-ethylpiperazino)anilino]-2-keto-ethyl] ester Formula: C21H23ClFN3O3 MolecularWeight: 419.877023

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H23ClFN3O3/c1-2-25-10-12-26(13-11-25)16-8-6-15(7-9-16)24-19(27)14-29-21(28)20-17(22)4-3-5-18(20)23/h3-9H,2,10-14H2,1H3,(H,24,27)