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

Systemtic Name: 2-[[(3R,4S)-1-oxidanylidene-3-phenyl-2-(phenylmethyl)-3,4-dihydroisoquinolin-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[(3R,4S)-2-benzyl-1-oxo-3-phenyl-3,4-dihydroisoquinolin-4-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[(3R,4S)-1-oxo-3-phenyl-2-(phenylmethyl)-3,4-dihydroisoquinolin-4-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[(3R,4S)-2-benzyl-1-oxo-3-phenyl-3,4-dihydroisoquinolin-4-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[(3R,4S)-2-benzyl-1-keto-3-phenyl-3,4-dihydroisoquinolin-4-yl]methyl]isoindoline-1,3-quinone Formula: C31H24N2O3 MolecularWeight: 472.53386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(C(C3=CC=CC=C3C2=O)CN4C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CN2[C@H]([C@@H](C3=CC=CC=C3C2=O)CN4C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6

InChI

InChI=1S/C31H24N2O3/c34-29-24-16-8-7-15-23(24)27(20-33-30(35)25-17-9-10-18-26(25)31(33)36)28(22-13-5-2-6-14-22)32(29)19-21-11-3-1-4-12-21/h1-18,27-28H,19-20H2/t27-,28+/m1/s1