4-[[[2-[(2S,5R)-2,5-dicyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]methyl]-N-phenyl-piperidine-1-carboxamide

Systemtic Name: 4-[[[2-[(2S,5R)-2,5-dicyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]methyl]-N-phenyl-piperidine-1-carboxamide Openeye Name: 4-[[[2-[(2S,5R)-2,5-dicyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]methyl]-N-phenyl-piperidine-1-carboxamide CAS Name: 4-[[[2-[(2S,5R)-2,5-dicyano-1-pyrrolidinyl]-2-oxoethyl]amino]methyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: 4-[[[2-[(2S,5R)-2,5-dicyanopyrrolidin-1-yl]-2-oxoethyl]amino]methyl]-N-phenylpiperidine-1-carboxamide Traditional Name: 4-[[[2-[(2S,5R)-2,5-dicyanopyrrolidino]-2-keto-ethyl]amino]methyl]-N-phenyl-piperidine-1-carboxamide Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1C#N)C(=O)CNCC2CCN(CC2)C(=O)NC3=CC=CC=C3)C#N

Isomeric SMILES

C1C[C@H](N([C@H]1C#N)C(=O)CNCC2CCN(CC2)C(=O)NC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H26N6O2/c22-12-18-6-7-19(13-23)27(18)20(28)15-24-14-16-8-10-26(11-9-16)21(29)25-17-4-2-1-3-5-17/h1-5,16,18-19,24H,6-11,14-15H2,(H,25,29)/t18-,19+