N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoline-2-carboxamide Openeye Name: N-[(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-(hydroxymethyl)-2-oxo-ethyl]quinoline-2-carboxamide CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-2-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(piperonylamino)ethyl]quinaldamide Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CO)NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)[C@H](CO)NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H19N3O5/c25-11-17(20(26)22-10-13-5-8-18-19(9-13)29-12-28-18)24-21(27)16-7-6-14-3-1-2-4-15(14)23-16/h1-9,17,25H,10-12H2,(H,22,26)(H,24,27)/t17-/m0/s1