4-(4-bromophenyl)-2-[(2S)-2-oxidanyl-2-phenyl-ethyl]phthalazin-1-one

Systemtic Name: 4-(4-bromophenyl)-2-[(2S)-2-oxidanyl-2-phenyl-ethyl]phthalazin-1-one Openeye Name: 4-(4-bromophenyl)-2-[(2S)-2-hydroxy-2-phenyl-ethyl]phthalazin-1-one CAS Name: 4-(4-bromophenyl)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-phthalazinone IUPAC Name: 4-(4-bromophenyl)-2-[(2S)-2-hydroxy-2-phenylethyl]phthalazin-1-one Traditional Name: 4-(4-bromophenyl)-2-[(2S)-2-hydroxy-2-phenyl-ethyl]phthalazin-1-one Formula: C22H17BrN2O2 MolecularWeight: 421.28658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN2O2/c23-17-12-10-16(11-13-17)21-18-8-4-5-9-19(18)22(27)25(24-21)14-20(26)15-6-2-1-3-7-15/h1-13,20,26H,14H2/t20-/m1/s1