4-bromanyl-5-[(3-methoxyphenyl)methyl-(phenylmethyl)amino]pentanenitrile

Systemtic Name: 4-bromanyl-5-[(3-methoxyphenyl)methyl-(phenylmethyl)amino]pentanenitrile Openeye Name: 5-[benzyl-[(3-methoxyphenyl)methyl]amino]-4-bromo-pentanenitrile CAS Name: 4-bromo-5-[(3-methoxyphenyl)methyl-(phenylmethyl)amino]pentanenitrile IUPAC Name: 5-[benzyl-[(3-methoxyphenyl)methyl]amino]-4-bromopentanenitrile Traditional Name: 5-[benzyl(m-anisyl)amino]-4-bromo-valeronitrile Formula: C20H23BrN2O MolecularWeight: 387.31342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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