5-oxidanyl-4-[(phenylmethyl)amino]pentanenitrile

Systemtic Name: 5-oxidanyl-4-[(phenylmethyl)amino]pentanenitrile Openeye Name: 4-(benzylamino)-5-hydroxy-pentanenitrile CAS Name: 5-hydroxy-4-[(phenylmethyl)amino]pentanenitrile IUPAC Name: 4-(benzylamino)-5-hydroxypentanenitrile Traditional Name: 4-(benzylamino)-5-hydroxy-valeronitrile Formula: C12H16N2O MolecularWeight: 204.26824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CCC#N)CO

Isomeric SMILES

C1=CC=C(C=C1)CNC(CCC#N)CO

InChI

InChI=1S/C12H16N2O/c13-8-4-7-12(10-15)14-9-11-5-2-1-3-6-11/h1-3,5-6,12,14-15H,4,7,9-10H2