3-(benzimidazol-1-yl)-6-ethyl-7-oxidanyl-chromen-4-one; 1,4-dioxane

Systemtic Name: 3-(benzimidazol-1-yl)-6-ethyl-7-oxidanyl-chromen-4-one; 1,4-dioxane Openeye Name: 3-(benzimidazol-1-yl)-6-ethyl-7-hydroxy-chromen-4-one; 1,4-dioxane CAS Name: 3-(1-benzimidazolyl)-6-ethyl-7-hydroxy-1-benzopyran-4-one; 1,4-dioxane IUPAC Name: 3-(benzimidazol-1-yl)-6-ethyl-7-hydroxychromen-4-one; 1,4-dioxane Traditional Name: 3-(benzimidazol-1-yl)-6-ethyl-7-hydroxy-chromone; 1,4-dioxane Formula: C40H36N4O8 MolecularWeight: 700.73584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)N3C=NC4=CC=CC=C43)O.CCC1=C(C=C2C(=C1)C(=O)C(=CO2)N3C=NC4=CC=CC=C43)O.C1COCCO1

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)N3C=NC4=CC=CC=C43)O.CCC1=C(C=C2C(=C1)C(=O)C(=CO2)N3C=NC4=CC=CC=C43)O.C1COCCO1

InChI

InChI=1S/2C18H14N2O3.C4H8O2/c2*1-2-11-7-12-17(8-16(11)21)23-9-15(18(12)22)20-10-19-13-5-3-4-6-14(13)20;1-2-6-4-3-5-1/h2*3-10,21H,2H2,1H3;1-4H2