N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide

Systemtic Name: N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide Openeye Name: N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide CAS Name: N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-1-(2-pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide Traditional Name: N-[4-(2-ketopyrrolidino)benzyl]-1-(2-pyrimidyl)isonipecotamide Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)C3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)C3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H25N5O2/c27-19-3-1-12-26(19)18-6-4-16(5-7-18)15-24-20(28)17-8-13-25(14-9-17)21-22-10-2-11-23-21/h2,4-7,10-11,17H,1,3,8-9,12-15H2,(H,24,28)