2-[(2S)-3-[(2-chlorophenyl)methoxy]-2-oxidanyl-propyl]-4-(4-methylphenyl)phthalazin-1-one

Systemtic Name: 2-[(2S)-3-[(2-chlorophenyl)methoxy]-2-oxidanyl-propyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxy-propyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[(2S)-3-(2-chlorobenzyl)oxy-2-hydroxy-propyl]-4-(p-tolyl)phthalazin-1-one Formula: C25H23ClN2O3 MolecularWeight: 434.91472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(COCC4=CC=CC=C4Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C[C@@H](COCC4=CC=CC=C4Cl)O

InChI

InChI=1S/C25H23ClN2O3/c1-17-10-12-18(13-11-17)24-21-7-3-4-8-22(21)25(30)28(27-24)14-20(29)16-31-15-19-6-2-5-9-23(19)26/h2-13,20,29H,14-16H2,1H3/t20-/m0/s1