(2S)-2-(3-bromophenyl)-2-(butylamino)ethanenitrile

Systemtic Name: (2S)-2-(3-bromophenyl)-2-(butylamino)ethanenitrile Openeye Name: (2S)-2-(3-bromophenyl)-2-(butylamino)acetonitrile CAS Name: (2S)-2-(3-bromophenyl)-2-(butylamino)acetonitrile IUPAC Name: (2S)-2-(3-bromophenyl)-2-(butylamino)acetonitrile Traditional Name: (2S)-2-(3-bromophenyl)-2-(butylamino)acetonitrile Formula: C12H15BrN2 MolecularWeight: 267.1649

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C#N)C1=CC(=CC=C1)Br

Isomeric SMILES

CCCCN[C@H](C#N)C1=CC(=CC=C1)Br

InChI

InChI=1S/C12H15BrN2/c1-2-3-7-15-12(9-14)10-5-4-6-11(13)8-10/h4-6,8,12,15H,2-3,7H2,1H3/t12-/m1/s1