(2S)-1-[2-[2-(3,5-dimethylphenyl)ethylamino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[2-[2-(3,5-dimethylphenyl)ethylamino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[2-[2-(3,5-dimethylphenyl)ethylamino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[2-[2-(3,5-dimethylphenyl)ethylamino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[2-[2-(3,5-dimethylphenyl)ethylamino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[2-[2-(3,5-dimethylphenyl)ethylamino]acetyl]pyrrolidine-2-carbonitrile Formula: C17H23N3O MolecularWeight: 285.38402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CCNCC(=O)N2CCCC2C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)CCNCC(=O)N2CCC[C@H]2C#N)C

InChI

InChI=1S/C17H23N3O/c1-13-8-14(2)10-15(9-13)5-6-19-12-17(21)20-7-3-4-16(20)11-18/h8-10,16,19H,3-7,12H2,1-2H3/t16-/m0/s1