(2S)-2-(4-tert-butylphenyl)-2-(pyridin-4-ylmethylamino)ethanenitrile

Systemtic Name: (2S)-2-(4-tert-butylphenyl)-2-(pyridin-4-ylmethylamino)ethanenitrile Openeye Name: (2S)-2-(4-tert-butylphenyl)-2-(4-pyridylmethylamino)acetonitrile CAS Name: (2S)-2-(4-tert-butylphenyl)-2-(pyridin-4-ylmethylamino)acetonitrile IUPAC Name: (2S)-2-(4-tert-butylphenyl)-2-(pyridin-4-ylmethylamino)acetonitrile Traditional Name: (2S)-2-(4-tert-butylphenyl)-2-(4-pyridylmethylamino)acetonitrile Formula: C18H21N3 MolecularWeight: 279.37944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C#N)NCC2=CC=NC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@@H](C#N)NCC2=CC=NC=C2

InChI

InChI=1S/C18H21N3/c1-18(2,3)16-6-4-15(5-7-16)17(12-19)21-13-14-8-10-20-11-9-14/h4-11,17,21H,13H2,1-3H3/t17-/m1/s1