methyl 3-[(5-bromanylpyridin-3-yl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[(5-bromanylpyridin-3-yl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[(5-bromopyridine-3-carbonyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(5-bromopyridine-3-carbonyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[(5-bromonicotinoyl)amino]-4-(4-ethylpiperazino)benzoic acid methyl ester Formula: C20H23BrN4O3 MolecularWeight: 447.32562

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C20H23BrN4O3/c1-3-24-6-8-25(9-7-24)18-5-4-14(20(27)28-2)11-17(18)23-19(26)15-10-16(21)13-22-12-15/h4-5,10-13H,3,6-9H2,1-2H3,(H,23,26)