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

Systemtic Name: 2-[(2R)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-phenylphthalazin-1-one Traditional Name: 2-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-4-phenyl-phthalazin-1-one Formula: C27H28N2O3 MolecularWeight: 428.52282

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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=CC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O3/c1-27(2,3)20-13-15-22(16-14-20)32-18-21(30)17-29-26(31)24-12-8-7-11-23(24)25(28-29)19-9-5-4-6-10-19/h4-16,21,30H,17-18H2,1-3H3/t21-/m1/s1