3-[2-[2-(4-bromanyl-2-methyl-phenoxy)ethanoyl]hydrazinyl]-N-(4-dimethylaminophenyl)but-3-enamide

Systemtic Name: 3-[2-[2-(4-bromanyl-2-methyl-phenoxy)ethanoyl]hydrazinyl]-N-(4-dimethylaminophenyl)but-3-enamide Openeye Name: 3-[2-[2-(4-bromo-2-methyl-phenoxy)acetyl]hydrazino]-N-(4-dimethylaminophenyl)but-3-enamide CAS Name: 3-[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]hydrazo]-N-(4-dimethylaminophenyl)-3-butenamide IUPAC Name: 3-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-N-(4-dimethylaminophenyl)but-3-enamide Traditional Name: 3-[N'-[2-(4-bromo-2-methyl-phenoxy)acetyl]hydrazino]-N-(4-dimethylaminophenyl)but-3-enamide Formula: C21H25BrN4O3 MolecularWeight: 461.3522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=C)CC(=O)NC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=C)CC(=O)NC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C21H25BrN4O3/c1-14-11-16(22)5-10-19(14)29-13-21(28)25-24-15(2)12-20(27)23-17-6-8-18(9-7-17)26(3)4/h5-11,24H,2,12-13H2,1,3-4H3,(H,23,27)(H,25,28)