2-[4-[1-(5-bromanyl-2-oxidanyl-phenyl)propylamino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[1-(5-bromanyl-2-oxidanyl-phenyl)propylamino]phenyl]ethanenitrile Openeye Name: 2-[4-[1-(5-bromo-2-hydroxy-phenyl)propylamino]phenyl]acetonitrile CAS Name: 2-[4-[1-(5-bromo-2-hydroxyphenyl)propylamino]phenyl]acetonitrile IUPAC Name: 2-[4-[1-(5-bromo-2-hydroxyphenyl)propylamino]phenyl]acetonitrile Traditional Name: 2-[4-[1-(5-bromo-2-hydroxy-phenyl)propylamino]phenyl]acetonitrile Formula: C17H17BrN2O MolecularWeight: 345.23368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CCC(C1=C(C=CC(=C1)Br)O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C17H17BrN2O/c1-2-16(15-11-13(18)5-8-17(15)21)20-14-6-3-12(4-7-14)9-10-19/h3-8,11,16,20-21H,2,9H2,1H3