2H-benzotriazol-5-yl-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]methanone

Systemtic Name: 2H-benzotriazol-5-yl-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]methanone Openeye Name: 2H-benzotriazol-5-yl-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]methanone CAS Name: 2H-benzotriazol-5-yl-[2-[(3-ethynylphenoxy)methyl]-4-morpholinyl]methanone IUPAC Name: 2H-benzotriazol-5-yl-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]methanone Traditional Name: 2H-benzotriazol-5-yl-[2-[(3-ethynylphenoxy)methyl]morpholino]methanone Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=O)C3=CC4=NNN=C4C=C3

Isomeric SMILES

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=O)C3=CC4=NNN=C4C=C3

InChI

InChI=1S/C20H18N4O3/c1-2-14-4-3-5-16(10-14)27-13-17-12-24(8-9-26-17)20(25)15-6-7-18-19(11-15)22-23-21-18/h1,3-7,10-11,17H,8-9,12-13H2,(H,21,22,23)