2-[(2S)-3-[2,5-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[(2S)-3-[2,5-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxy-propyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]-4-phenylphthalazin-1-one Traditional Name: 2-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxy-propyl]-4-phenyl-phthalazin-1-one Formula: C23H18Cl2N2O3 MolecularWeight: 441.30662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(COC4=C(C=CC(=C4)Cl)Cl)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C[C@@H](COC4=C(C=CC(=C4)Cl)Cl)O

InChI

InChI=1S/C23H18Cl2N2O3/c24-16-10-11-20(25)21(12-16)30-14-17(28)13-27-23(29)19-9-5-4-8-18(19)22(26-27)15-6-2-1-3-7-15/h1-12,17,28H,13-14H2/t17-/m0/s1