2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]oxy-N-[(3-bromophenyl)methylideneamino]ethanamide

Systemtic Name: 2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]oxy-N-[(3-bromophenyl)methylideneamino]ethanamide Openeye Name: 2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]oxy-N-[(3-bromophenyl)methyleneamino]acetamide CAS Name: 2-[[2-(1-azepanyl)-6-methyl-4-pyrimidinyl]oxy]-N-[(3-bromophenyl)methylideneamino]acetamide IUPAC Name: 2-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy-N-[(3-bromophenyl)methylideneamino]acetamide Traditional Name: 2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]oxy-N-[(3-bromobenzylidene)amino]acetamide Formula: C20H24BrN5O2 MolecularWeight: 446.34086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCCCCC2)OCC(=O)NN=CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCCCCC2)OCC(=O)NN=CC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H24BrN5O2/c1-15-11-19(24-20(23-15)26-9-4-2-3-5-10-26)28-14-18(27)25-22-13-16-7-6-8-17(21)12-16/h6-8,11-13H,2-5,9-10,14H2,1H3,(H,25,27)