(2S)-2-(4-bromophenyl)-2-(pentylamino)ethanenitrile

Systemtic Name: (2S)-2-(4-bromophenyl)-2-(pentylamino)ethanenitrile Openeye Name: (2S)-2-(4-bromophenyl)-2-(pentylamino)acetonitrile CAS Name: (2S)-2-(4-bromophenyl)-2-(pentylamino)acetonitrile IUPAC Name: (2S)-2-(4-bromophenyl)-2-(pentylamino)acetonitrile Traditional Name: (2S)-2-(amylamino)-2-(4-bromophenyl)acetonitrile Formula: C13H17BrN2 MolecularWeight: 281.19148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN2/c1-2-3-4-9-16-13(10-15)11-5-7-12(14)8-6-11/h5-8,13,16H,2-4,9H2,1H3/t13-/m1/s1