methyl 3-[(5-bromanylfuran-2-yl)carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[(5-bromanylfuran-2-yl)carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate Openeye Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(5-bromofuran-2-carbonyl)amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[(5-bromo-2-furanyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(5-bromofuran-2-carbonyl)amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[(5-bromo-2-furoyl)amino]benzoic acid methyl ester Formula: C19H20BrN3O5 MolecularWeight: 450.2832

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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=C(O3)Br

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C19H20BrN3O5/c1-12(24)22-7-9-23(10-8-22)15-4-3-13(19(26)27-2)11-14(15)21-18(25)16-5-6-17(20)28-16/h3-6,11H,7-10H2,1-2H3,(H,21,25)