phenyl N-[(E)-4-(5-bromanylpyridin-3-yl)but-3-enyl]-N-methyl-carbamate

Systemtic Name: phenyl N-[(E)-4-(5-bromanylpyridin-3-yl)but-3-enyl]-N-methyl-carbamate Openeye Name: phenyl N-[(E)-4-(5-bromo-3-pyridyl)but-3-enyl]-N-methyl-carbamate CAS Name: N-[(E)-4-(5-bromo-3-pyridinyl)but-3-enyl]-N-methylcarbamic acid phenyl ester IUPAC Name: phenyl N-[(E)-4-(5-bromopyridin-3-yl)but-3-enyl]-N-methylcarbamate Traditional Name: N-[(E)-4-(5-bromo-3-pyridyl)but-3-enyl]-N-methyl-carbamic acid phenyl ester Formula: C17H17BrN2O2 MolecularWeight: 361.23308

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC=CC1=CC(=CN=C1)Br)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CN(CC/C=C/C1=CC(=CN=C1)Br)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C17H17BrN2O2/c1-20(17(21)22-16-8-3-2-4-9-16)10-6-5-7-14-11-15(18)13-19-12-14/h2-5,7-9,11-13H,6,10H2,1H3/b7-5+