(E)-2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-yl-prop-2-en-1-one

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-yl-prop-2-en-1-one Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)-1-morpholino-prop-2-en-1-one CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)-1-(4-morpholinyl)-2-propen-1-one IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-en-1-one Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)-1-morpholino-prop-2-en-1-one Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1COCCN1C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H19N3O4/c25-21(24-7-9-26-10-8-24)15(20-22-16-3-1-2-4-17(16)23-20)11-14-5-6-18-19(12-14)28-13-27-18/h1-6,11-12H,7-10,13H2,(H,22,23)/b15-11+