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

Systemtic Name: 4-[2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]propanoylamino]benzamide Openeye Name: 4-[2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-amino]propanoylamino]benzamide CAS Name: 4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanoylamino]benzamide Traditional Name: 4-[2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-amino]propanoylamino]benzamide Formula: C20H23BrN4O3 MolecularWeight: 447.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(C)C(=O)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(C)C(=O)NC2=CC=C(C=C2)C(=O)N

InChI

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