3-[(2R)-3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[(2R)-3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[(2R)-3-(2-tert-butylphenoxy)-2-hydroxy-propyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[(2R)-3-(2-tert-butylphenoxy)-2-hydroxypropyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[(2R)-3-(2-tert-butylphenoxy)-2-hydroxypropyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[(2R)-3-(2-tert-butylphenoxy)-2-hydroxy-propyl]-4-keto-phthalazine-1-carboxamide Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OC[C@@H](CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)O

InChI

InChI=1S/C22H25N3O4/c1-22(2,3)17-10-6-7-11-18(17)29-13-14(26)12-25-21(28)16-9-5-4-8-15(16)19(24-25)20(23)27/h4-11,14,26H,12-13H2,1-3H3,(H2,23,27)/t14-/m1/s1