2-[(2R)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]-4-thiophen-2-yl-phthalazin-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)O

Isomeric SMILES

CCC1=CC=C(C=C1)OC[C@@H](CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)O

InChI

InChI=1S/C23H22N2O3S/c1-2-16-9-11-18(12-10-16)28-15-17(26)14-25-23(27)20-7-4-3-6-19(20)22(24-25)21-8-5-13-29-21/h3-13,17,26H,2,14-15H2,1H3/t17-/m1/s1