3-(benzotriazol-1-yl)-2-[(2S)-3-oxidanyl-2-phenyl-propyl]-3H-isoindol-1-one

Systemtic Name: 3-(benzotriazol-1-yl)-2-[(2S)-3-oxidanyl-2-phenyl-propyl]-3H-isoindol-1-one Openeye Name: 3-(benzotriazol-1-yl)-2-[(2S)-3-hydroxy-2-phenyl-propyl]isoindolin-1-one CAS Name: 3-(1-benzotriazolyl)-2-[(2S)-3-hydroxy-2-phenylpropyl]-3H-isoindol-1-one IUPAC Name: 3-(benzotriazol-1-yl)-2-[(2S)-3-hydroxy-2-phenylpropyl]-3H-isoindol-1-one Traditional Name: 3-(benzotriazol-1-yl)-2-[(2S)-3-hydroxy-2-phenyl-propyl]isoindolin-1-one Formula: C23H20N4O2 MolecularWeight: 384.4305

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CN2C(C3=CC=CC=C3C2=O)N4C5=CC=CC=C5N=N4)CO

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](CN2C(C3=CC=CC=C3C2=O)N4C5=CC=CC=C5N=N4)CO

InChI

InChI=1S/C23H20N4O2/c28-15-17(16-8-2-1-3-9-16)14-26-22(18-10-4-5-11-19(18)23(26)29)27-21-13-7-6-12-20(21)24-25-27/h1-13,17,22,28H,14-15H2/t17-,22?/m0/s1