3-(1H-benzimidazol-2-yl)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]propan-1-one

Systemtic Name: 3-(1H-benzimidazol-2-yl)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]propan-1-one Openeye Name: 3-(1H-benzimidazol-2-yl)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]propan-1-one CAS Name: 3-(1H-benzimidazol-2-yl)-1-[2-[(3-ethynylphenoxy)methyl]-4-morpholinyl]-1-propanone IUPAC Name: 3-(1H-benzimidazol-2-yl)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]propan-1-one Traditional Name: 3-(1H-benzimidazol-2-yl)-1-[2-[(3-ethynylphenoxy)methyl]morpholino]propan-1-one Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=O)CCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=O)CCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H23N3O3/c1-2-17-6-5-7-18(14-17)29-16-19-15-26(12-13-28-19)23(27)11-10-22-24-20-8-3-4-9-21(20)25-22/h1,3-9,14,19H,10-13,15-16H2,(H,24,25)