(2S)-1-[(2S,4S)-4-(phenethylamino)pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[(2S,4S)-4-(phenethylamino)pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[(2S,4S)-4-(phenethylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[oxo-[(2S,4S)-4-(phenethylamino)-2-pyrrolidinyl]methyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[(2S,4S)-4-(phenethylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[(2S,4S)-4-(phenethylamino)prolyl]pyrrolidine-2-carbonitrile Formula: C18H24N4O MolecularWeight: 312.40936

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CC(CN2)NCCC3=CC=CC=C3)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H]2C[C@@H](CN2)NCCC3=CC=CC=C3)C#N

InChI

InChI=1S/C18H24N4O/c19-12-16-7-4-10-22(16)18(23)17-11-15(13-21-17)20-9-8-14-5-2-1-3-6-14/h1-3,5-6,15-17,20-21H,4,7-11,13H2/t15-,16-,17-/m0/s1