methyl 4-(4-ethanoylpiperazin-1-yl)-3-[(3-fluorophenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-(4-ethanoylpiperazin-1-yl)-3-[(3-fluorophenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(3-fluorobenzoyl)amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[(3-fluorophenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(3-fluorobenzoyl)amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[(3-fluorobenzoyl)amino]benzoic acid methyl ester Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H22FN3O4/c1-14(26)24-8-10-25(11-9-24)19-7-6-16(21(28)29-2)13-18(19)23-20(27)15-4-3-5-17(22)12-15/h3-7,12-13H,8-11H2,1-2H3,(H,23,27)