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

Systemtic Name: 2-[[(3R,4S)-2-cyclohexyl-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinolin-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[(3R,4S)-2-cyclohexyl-1-oxo-3-phenyl-3,4-dihydroisoquinolin-4-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[(3R,4S)-2-cyclohexyl-1-oxo-3-phenyl-3,4-dihydroisoquinolin-4-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[(3R,4S)-2-cyclohexyl-1-oxo-3-phenyl-3,4-dihydroisoquinolin-4-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[(3R,4S)-2-cyclohexyl-1-keto-3-phenyl-3,4-dihydroisoquinolin-4-yl]methyl]isoindoline-1,3-quinone Formula: C30H28N2O3 MolecularWeight: 464.55492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(C(C3=CC=CC=C3C2=O)CN4C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2[C@H]([C@@H](C3=CC=CC=C3C2=O)CN4C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6

InChI

InChI=1S/C30H28N2O3/c33-28-24-17-9-10-18-25(24)29(34)31(28)19-26-22-15-7-8-16-23(22)30(35)32(21-13-5-2-6-14-21)27(26)20-11-3-1-4-12-20/h1,3-4,7-12,15-18,21,26-27H,2,5-6,13-14,19H2/t26-,27+/m1/s1