3-[[2-(2-bromophenyl)-2-oxidanyl-ethyl]-(phenylmethyl)amino]propanenitrile

Systemtic Name: 3-[[2-(2-bromophenyl)-2-oxidanyl-ethyl]-(phenylmethyl)amino]propanenitrile Openeye Name: 3-[benzyl-[2-(2-bromophenyl)-2-hydroxy-ethyl]amino]propanenitrile CAS Name: 3-[[2-(2-bromophenyl)-2-hydroxyethyl]-(phenylmethyl)amino]propanenitrile IUPAC Name: 3-[benzyl-[2-(2-bromophenyl)-2-hydroxyethyl]amino]propanenitrile Traditional Name: 3-[benzyl-[2-(2-bromophenyl)-2-hydroxy-ethyl]amino]propionitrile Formula: C18H19BrN2O MolecularWeight: 359.26026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC#N)CC(C2=CC=CC=C2Br)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)CC(C2=CC=CC=C2Br)O

InChI

InChI=1S/C18H19BrN2O/c19-17-10-5-4-9-16(17)18(22)14-21(12-6-11-20)13-15-7-2-1-3-8-15/h1-5,7-10,18,22H,6,12-14H2