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

Systemtic Name: 2-[(2R)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[(2R)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[(2R)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-4-(p-tolyl)phthalazin-1-one Formula: C26H26N2O3 MolecularWeight: 414.49624

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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=C(C=C4)C)O

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O3/c1-3-19-10-14-22(15-11-19)31-17-21(29)16-28-26(30)24-7-5-4-6-23(24)25(27-28)20-12-8-18(2)9-13-20/h4-15,21,29H,3,16-17H2,1-2H3/t21-/m1/s1