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

Systemtic Name: methyl 3-[(5-bromanylfuran-2-yl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(5-bromofuran-2-carbonyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(5-bromo-2-furanyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(5-bromofuran-2-carbonyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(5-bromo-2-furoyl)amino]benzoic acid methyl ester Formula: C24H22BrN3O5 MolecularWeight: 512.35258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC=C(O4)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC=C(O4)Br

InChI

InChI=1S/C24H22BrN3O5/c1-32-24(31)17-7-8-19(18(15-17)26-22(29)20-9-10-21(25)33-20)27-11-13-28(14-12-27)23(30)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,26,29)