N-(1,3-benzodioxol-5-yl)-1-[4-(pyrimidin-2-ylamino)butanoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[4-(pyrimidin-2-ylamino)butanoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[4-(pyrimidin-2-ylamino)butanoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[1-oxo-4-(2-pyrimidinylamino)butyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[4-(pyrimidin-2-ylamino)butanoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[4-(2-pyrimidylamino)butanoyl]isonipecotamide Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CCCNC4=NC=CC=N4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CCCNC4=NC=CC=N4

InChI

InChI=1S/C21H25N5O4/c27-19(3-1-8-22-21-23-9-2-10-24-21)26-11-6-15(7-12-26)20(28)25-16-4-5-17-18(13-16)30-14-29-17/h2,4-5,9-10,13,15H,1,3,6-8,11-12,14H2,(H,25,28)(H,22,23,24)