N-[(3S,5S)-5-[(2S)-2-cyanopyrrolidin-1-yl]carbonylpyrrolidin-3-yl]benzamide

Systemtic Name: N-[(3S,5S)-5-[(2S)-2-cyanopyrrolidin-1-yl]carbonylpyrrolidin-3-yl]benzamide Openeye Name: N-[(3S,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide CAS Name: N-[(3S,5S)-5-[[(2S)-2-cyano-1-pyrrolidinyl]-oxomethyl]-3-pyrrolidinyl]benzamide IUPAC Name: N-[(3S,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide Traditional Name: N-[(3S,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2/c18-10-14-7-4-8-21(14)17(23)15-9-13(11-19-15)20-16(22)12-5-2-1-3-6-12/h1-3,5-6,13-15,19H,4,7-9,11H2,(H,20,22)/t13-,14-,15-/m0/s1