3-[[1-(3-bromanyl-4-methoxy-phenyl)ethylamino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[1-(3-bromanyl-4-methoxy-phenyl)ethylamino]methyl]benzenecarbonitrile Openeye Name: 3-[[1-(3-bromo-4-methoxy-phenyl)ethylamino]methyl]benzonitrile CAS Name: 3-[[1-(3-bromo-4-methoxyphenyl)ethylamino]methyl]benzonitrile IUPAC Name: 3-[[1-(3-bromo-4-methoxyphenyl)ethylamino]methyl]benzonitrile Traditional Name: 3-[[1-(3-bromo-4-methoxy-phenyl)ethylamino]methyl]benzonitrile Formula: C17H17BrN2O MolecularWeight: 345.23368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)Br)NCC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)Br)NCC2=CC=CC(=C2)C#N

InChI

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