(2S)-4-(4-cyanophenyl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]piperazine-2-carboxamide

Systemtic Name: (2S)-4-(4-cyanophenyl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]piperazine-2-carboxamide Openeye Name: (2S)-4-(4-cyanobenzoyl)-N-[(3S)-2-oxo-3-piperidyl]piperazine-2-carboxamide CAS Name: (2S)-4-[(4-cyanophenyl)-oxomethyl]-N-[(3S)-2-oxo-3-piperidinyl]-2-piperazinecarboxamide IUPAC Name: (2S)-4-(4-cyanobenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide Traditional Name: (2S)-4-(4-cyanobenzoyl)-N-[(3S)-2-keto-3-piperidyl]piperazine-2-carboxamide Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NC1)NC(=O)C2CN(CCN2)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1C[C@@H](C(=O)NC1)NC(=O)[C@@H]2CN(CCN2)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H21N5O3/c19-10-12-3-5-13(6-4-12)18(26)23-9-8-20-15(11-23)17(25)22-14-2-1-7-21-16(14)24/h3-6,14-15,20H,1-2,7-9,11H2,(H,21,24)(H,22,25)/t14-,15-/m0/s1