2-[[(3R,4S)-2-methyl-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinolin-4-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[(3R,4S)-2-methyl-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinolin-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[(3R,4S)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinolin-4-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[(3R,4S)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinolin-4-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[(3R,4S)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinolin-4-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[(3R,4S)-1-keto-2-methyl-3-phenyl-3,4-dihydroisoquinolin-4-yl]methyl]isoindoline-1,3-quinone Formula: C25H20N2O3 MolecularWeight: 396.4379

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)CN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

CN1[C@H]([C@@H](C2=CC=CC=C2C1=O)CN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C25H20N2O3/c1-26-22(16-9-3-2-4-10-16)21(17-11-5-6-12-18(17)23(26)28)15-27-24(29)19-13-7-8-14-20(19)25(27)30/h2-14,21-22H,15H2,1H3/t21-,22+/m1/s1