(2S)-2-azanyl-N-[(1S)-2-(4-chlorophenyl)-1-cyano-ethyl]butanamide

Systemtic Name: (2S)-2-azanyl-N-[(1S)-2-(4-chlorophenyl)-1-cyano-ethyl]butanamide Openeye Name: (2S)-2-amino-N-[(1S)-2-(4-chlorophenyl)-1-cyano-ethyl]butanamide CAS Name: (2S)-2-amino-N-[(1S)-2-(4-chlorophenyl)-1-cyanoethyl]butanamide IUPAC Name: (2S)-2-amino-N-[(1S)-2-(4-chlorophenyl)-1-cyanoethyl]butanamide Traditional Name: (2S)-2-amino-N-[(1S)-2-(4-chlorophenyl)-1-cyano-ethyl]butyramide Formula: C13H16ClN3O MolecularWeight: 265.73864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC1=CC=C(C=C1)Cl)C#N)N

Isomeric SMILES

CC[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)Cl)C#N)N

InChI

InChI=1S/C13H16ClN3O/c1-2-12(16)13(18)17-11(8-15)7-9-3-5-10(14)6-4-9/h3-6,11-12H,2,7,16H2,1H3,(H,17,18)/t11-,12-/m0/s1