2-[3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]-4-(2-thienyl)phthalazin-1-one Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)O

InChI

InChI=1S/C23H22N2O3S/c1-15-7-5-8-16(2)22(15)28-14-17(26)13-25-23(27)19-10-4-3-9-18(19)21(24-25)20-11-6-12-29-20/h3-12,17,26H,13-14H2,1-2H3