(E)-2-(1H-benzimidazol-2-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-morpholin-4-yl-prop-2-en-1-one

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-morpholin-4-yl-prop-2-en-1-one Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-morpholino-prop-2-en-1-one CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-morpholinyl)-2-propen-1-one IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-en-1-one Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-morpholino-prop-2-en-1-one Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C=C(C3=NC4=CC=CC=C4N3)C(=O)N5CCOCC5

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)/C=C(\C3=NC4=CC=CC=C4N3)/C(=O)N5CCOCC5

InChI

InChI=1S/C22H21N3O5/c1-27-18-11-14(12-19-20(18)30-13-29-19)10-15(22(26)25-6-8-28-9-7-25)21-23-16-4-2-3-5-17(16)24-21/h2-5,10-12H,6-9,13H2,1H3,(H,23,24)/b15-10+