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

Systemtic Name: 2-[[(3S,4S)-1-oxidanylidene-2-(phenylmethyl)-3-propan-2-yl-3,4-dihydroisoquinolin-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[(3S,4S)-2-benzyl-3-isopropyl-1-oxo-3,4-dihydroisoquinolin-4-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[(3S,4S)-1-oxo-2-(phenylmethyl)-3-propan-2-yl-3,4-dihydroisoquinolin-4-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[(3S,4S)-2-benzyl-1-oxo-3-propan-2-yl-3,4-dihydroisoquinolin-4-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[(3S,4S)-2-benzyl-3-isopropyl-1-keto-3,4-dihydroisoquinolin-4-yl]methyl]isoindoline-1,3-quinone Formula: C28H26N2O3 MolecularWeight: 438.51764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC(C)[C@H]1[C@@H](C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H26N2O3/c1-18(2)25-24(17-30-27(32)22-14-8-9-15-23(22)28(30)33)20-12-6-7-13-21(20)26(31)29(25)16-19-10-4-3-5-11-19/h3-15,18,24-25H,16-17H2,1-2H3/t24-,25+/m1/s1