N-[5-[[2,3-bis(oxidanyl)propylamino]methyl]-2-piperidin-1-yl-phenyl]-5-cyano-furan-2-carboxamide

Systemtic Name: N-[5-[[2,3-bis(oxidanyl)propylamino]methyl]-2-piperidin-1-yl-phenyl]-5-cyano-furan-2-carboxamide Openeye Name: 5-cyano-N-[5-[(2,3-dihydroxypropylamino)methyl]-2-(1-piperidyl)phenyl]furan-2-carboxamide CAS Name: 5-cyano-N-[5-[(2,3-dihydroxypropylamino)methyl]-2-(1-piperidinyl)phenyl]-2-furancarboxamide IUPAC Name: 5-cyano-N-[5-[(2,3-dihydroxypropylamino)methyl]-2-piperidin-1-ylphenyl]furan-2-carboxamide Traditional Name: 5-cyano-N-[5-[(glycerylamino)methyl]-2-piperidino-phenyl]-2-furamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)CNCC(CO)O)NC(=O)C3=CC=C(O3)C#N

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)CNCC(CO)O)NC(=O)C3=CC=C(O3)C#N

InChI

InChI=1S/C21H26N4O4/c22-11-17-5-7-20(29-17)21(28)24-18-10-15(12-23-13-16(27)14-26)4-6-19(18)25-8-2-1-3-9-25/h4-7,10,16,23,26-27H,1-3,8-9,12-14H2,(H,24,28)