[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-(5-hex-1-ynylpyridin-3-yl)methanone

Systemtic Name: [2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-(5-hex-1-ynylpyridin-3-yl)methanone Openeye Name: [2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-(5-hex-1-ynyl-3-pyridyl)methanone CAS Name: [2-[(3-ethynylphenoxy)methyl]-4-morpholinyl]-(5-hex-1-ynyl-3-pyridinyl)methanone IUPAC Name: [2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-(5-hex-1-ynylpyridin-3-yl)methanone Traditional Name: [2-[(3-ethynylphenoxy)methyl]morpholino]-(5-hex-1-ynyl-3-pyridyl)methanone Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC(=CN=C1)C(=O)N2CCOC(C2)COC3=CC=CC(=C3)C#C

Isomeric SMILES

CCCCC#CC1=CC(=CN=C1)C(=O)N2CCOC(C2)COC3=CC=CC(=C3)C#C

InChI

InChI=1S/C25H26N2O3/c1-3-5-6-7-9-21-14-22(17-26-16-21)25(28)27-12-13-29-24(18-27)19-30-23-11-8-10-20(4-2)15-23/h2,8,10-11,14-17,24H,3,5-6,12-13,18-19H2,1H3