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

Systemtic Name: 2-[(2R)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-4-(2-thienyl)phthalazin-1-one Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3S/c1-25(2,3)17-10-12-19(13-11-17)30-16-18(28)15-27-24(29)21-8-5-4-7-20(21)23(26-27)22-9-6-14-31-22/h4-14,18,28H,15-16H2,1-3H3/t18-/m1/s1