3-[1-(5-bromanyl-2-oxidanyl-phenyl)propylamino]benzenecarbonitrile

Systemtic Name: 3-[1-(5-bromanyl-2-oxidanyl-phenyl)propylamino]benzenecarbonitrile Openeye Name: 3-[1-(5-bromo-2-hydroxy-phenyl)propylamino]benzonitrile CAS Name: 3-[1-(5-bromo-2-hydroxyphenyl)propylamino]benzonitrile IUPAC Name: 3-[1-(5-bromo-2-hydroxyphenyl)propylamino]benzonitrile Traditional Name: 3-[1-(5-bromo-2-hydroxy-phenyl)propylamino]benzonitrile Formula: C16H15BrN2O MolecularWeight: 331.2071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2O/c1-2-15(14-9-12(17)6-7-16(14)20)19-13-5-3-4-11(8-13)10-18/h3-9,15,19-20H,2H2,1H3