[(2S)-4-(1,3-benzodioxol-5-ylcarbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-yl-methanone

Systemtic Name: [(2S)-4-(1,3-benzodioxol-5-ylcarbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-yl-methanone Openeye Name: [(2S)-4-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholino-methanone CAS Name: [(2S)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-(4-morpholinyl)methanone IUPAC Name: [(2S)-4-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone Traditional Name: morpholino-[(2S)-4-piperonyloyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanone Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2CN(C3=CC=CC=C3O2)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1C(=O)[C@@H]2CN(C3=CC=CC=C3O2)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20N2O6/c24-20(14-5-6-17-18(11-14)28-13-27-17)23-12-19(21(25)22-7-9-26-10-8-22)29-16-4-2-1-3-15(16)23/h1-6,11,19H,7-10,12-13H2/t19-/m0/s1