3-[[(1S)-2-oxidanyl-1-phenyl-ethyl]-(phenylmethyl)amino]propanenitrile

Systemtic Name: 3-[[(1S)-2-oxidanyl-1-phenyl-ethyl]-(phenylmethyl)amino]propanenitrile Openeye Name: 3-[benzyl-[(1S)-2-hydroxy-1-phenyl-ethyl]amino]propanenitrile CAS Name: 3-[[(1S)-2-hydroxy-1-phenylethyl]-(phenylmethyl)amino]propanenitrile IUPAC Name: 3-[benzyl-[(1S)-2-hydroxy-1-phenylethyl]amino]propanenitrile Traditional Name: 3-[benzyl-[(1S)-2-hydroxy-1-phenyl-ethyl]amino]propionitrile Formula: C18H20N2O MolecularWeight: 280.3642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC#N)C(CO)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)[C@H](CO)C2=CC=CC=C2

InChI

InChI=1S/C18H20N2O/c19-12-7-13-20(14-16-8-3-1-4-9-16)18(15-21)17-10-5-2-6-11-17/h1-6,8-11,18,21H,7,13-15H2/t18-/m1/s1