4-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide

Systemtic Name: 4-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide Openeye Name: 4-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide CAS Name: 4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]-N-(2,5-dimethyl-1-pyrrolyl)benzamide IUPAC Name: 4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide Traditional Name: 4-[2-(4-bromo-2-methyl-anilino)-2-keto-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OCC(=O)NC3=C(C=C(C=C3)Br)C)C

Isomeric SMILES

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OCC(=O)NC3=C(C=C(C=C3)Br)C)C

InChI

InChI=1S/C22H22BrN3O3/c1-14-12-18(23)8-11-20(14)24-21(27)13-29-19-9-6-17(7-10-19)22(28)25-26-15(2)4-5-16(26)3/h4-12H,13H2,1-3H3,(H,24,27)(H,25,28)