4-[2-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[2-[(3-ethynylphenoxy)methyl]-4-morpholinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-[2-[(3-ethynylphenoxy)methyl]morpholino]-2-keto-ethyl]-2H-phthalazin-1-one Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C23H21N3O4/c1-2-16-6-5-7-17(12-16)30-15-18-14-26(10-11-29-18)22(27)13-21-19-8-3-4-9-20(19)23(28)25-24-21/h1,3-9,12,18H,10-11,13-15H2,(H,25,28)