4-bromanyl-5-[(4-methoxyphenyl)methyl-(phenylmethyl)amino]pentanenitrile

Systemtic Name: 4-bromanyl-5-[(4-methoxyphenyl)methyl-(phenylmethyl)amino]pentanenitrile Openeye Name: 5-[benzyl-[(4-methoxyphenyl)methyl]amino]-4-bromo-pentanenitrile CAS Name: 4-bromo-5-[(4-methoxyphenyl)methyl-(phenylmethyl)amino]pentanenitrile IUPAC Name: 5-[benzyl-[(4-methoxyphenyl)methyl]amino]-4-bromopentanenitrile Traditional Name: 5-[benzyl(p-anisyl)amino]-4-bromo-valeronitrile Formula: C20H23BrN2O MolecularWeight: 387.31342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC(CCC#N)Br

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC(CCC#N)Br

InChI

InChI=1S/C20H23BrN2O/c1-24-20-11-9-18(10-12-20)15-23(16-19(21)8-5-13-22)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,14-16H2,1H3