4-[3-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-amino]propanoylamino]benzamide

Systemtic Name: 4-[3-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-amino]propanoylamino]benzamide Openeye Name: 4-[3-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-ethyl-amino]propanoylamino]benzamide CAS Name: 4-[[3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-ethylamino]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide Traditional Name: 4-[3-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-ethyl-amino]propanoylamino]benzamide Formula: C21H25BrN4O3 MolecularWeight: 461.3522

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)CC(=O)NC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)CC(=O)NC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C21H25BrN4O3/c1-3-26(13-20(28)25-18-9-6-16(22)12-14(18)2)11-10-19(27)24-17-7-4-15(5-8-17)21(23)29/h4-9,12H,3,10-11,13H2,1-2H3,(H2,23,29)(H,24,27)(H,25,28)