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

Systemtic Name: (2S)-1-[(2S,4S)-4-[(phenylmethyl)amino]pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[(2S,4S)-4-(benzylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[oxo-[(2S,4S)-4-[(phenylmethyl)amino]-2-pyrrolidinyl]methyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[(2S,4S)-4-(benzylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[(2S,4S)-4-(benzylamino)prolyl]pyrrolidine-2-carbonitrile Formula: C17H22N4O MolecularWeight: 298.38278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CC(CN2)NCC3=CC=CC=C3)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H]2C[C@@H](CN2)NCC3=CC=CC=C3)C#N

InChI

InChI=1S/C17H22N4O/c18-10-15-7-4-8-21(15)17(22)16-9-14(12-20-16)19-11-13-5-2-1-3-6-13/h1-3,5-6,14-16,19-20H,4,7-9,11-12H2/t14-,15-,16-/m0/s1