(2S)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-(3-methylbutylamino)ethanenitrile

Systemtic Name: (2S)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-(3-methylbutylamino)ethanenitrile Openeye Name: (2S)-2-(2-chloro-6-fluoro-phenyl)-2-(isopentylamino)acetonitrile CAS Name: (2S)-2-(2-chloro-6-fluorophenyl)-2-(3-methylbutylamino)acetonitrile IUPAC Name: (2S)-2-(2-chloro-6-fluorophenyl)-2-(3-methylbutylamino)acetonitrile Traditional Name: (2S)-2-(2-chloro-6-fluoro-phenyl)-2-(isoamylamino)acetonitrile Formula: C13H16ClFN2 MolecularWeight: 254.730943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(C#N)C1=C(C=CC=C1Cl)F

Isomeric SMILES

CC(C)CCN[C@H](C#N)C1=C(C=CC=C1Cl)F

InChI

InChI=1S/C13H16ClFN2/c1-9(2)6-7-17-12(8-16)13-10(14)4-3-5-11(13)15/h3-5,9,12,17H,6-7H2,1-2H3/t12-/m1/s1