N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]ethanediamide

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]ethanediamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[2-(4-pyridylmethylcarbamoyl)phenyl]oxamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-N'-[2-[oxo-(pyridin-4-ylmethylamino)methyl]phenyl]oxamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]oxamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[2-(4-pyridylmethylcarbamoyl)phenyl]oxamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=NC=C3

Isomeric SMILES

CCN1CCC[C@H]1CNC(=O)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C22H27N5O3/c1-2-27-13-5-6-17(27)15-25-21(29)22(30)26-19-8-4-3-7-18(19)20(28)24-14-16-9-11-23-12-10-16/h3-4,7-12,17H,2,5-6,13-15H2,1H3,(H,24,28)(H,25,29)(H,26,30)/t17-/m0/s1