2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]oxy-N-[(2-bromanyl-3-phenyl-prop-2-enylidene)amino]ethanamide

Systemtic Name: 2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]oxy-N-[(2-bromanyl-3-phenyl-prop-2-enylidene)amino]ethanamide Openeye Name: 2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]oxy-N-[(2-bromo-3-phenyl-prop-2-enylidene)amino]acetamide CAS Name: 2-[[2-(1-azepanyl)-6-methyl-4-pyrimidinyl]oxy]-N-[(2-bromo-3-phenylprop-2-enylidene)amino]acetamide IUPAC Name: 2-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy-N-[(2-bromo-3-phenylprop-2-enylidene)amino]acetamide Traditional Name: 2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]oxy-N-[(2-bromo-3-phenyl-prop-2-enylidene)amino]acetamide Formula: C22H26BrN5O2 MolecularWeight: 472.37814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN5O2/c1-17-13-21(26-22(25-17)28-11-7-2-3-8-12-28)30-16-20(29)27-24-15-19(23)14-18-9-5-4-6-10-18/h4-6,9-10,13-15H,2-3,7-8,11-12,16H2,1H3,(H,27,29)