2-(4-bromophenyl)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]ethanenitrile

Systemtic Name: 2-(4-bromophenyl)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]ethanenitrile Openeye Name: 2-(4-bromophenyl)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]acetonitrile CAS Name: 2-(4-bromophenyl)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methylamino]acetonitrile IUPAC Name: 2-(4-bromophenyl)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methylamino]acetonitrile Traditional Name: 2-(4-bromophenyl)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]acetonitrile Formula: C21H23BrN2O2 MolecularWeight: 415.32352

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(O1)C2=CC=CC=C2)N(C)C(C#N)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2)N(C)C(C#N)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H23BrN2O2/c1-21(2)25-14-19(20(26-21)16-7-5-4-6-8-16)24(3)18(13-23)15-9-11-17(22)12-10-15/h4-12,18-20H,14H2,1-3H3/t18?,19-,20-/m0/s1