2-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]methyl]-5H-isoindole-1,3,4-trione

Systemtic Name: 2-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]methyl]-5H-isoindole-1,3,4-trione Openeye Name: 2-[[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]methyl]-5H-isoindole-1,3,4-trione CAS Name: 2-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]methyl]-5H-isoindole-1,3,4-trione IUPAC Name: 2-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]methyl]-5H-isoindole-1,3,4-trione Traditional Name: 2-[[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]methyl]-5H-isoindole-1,3,4-trione Formula: C29H27N3O4 MolecularWeight: 481.54238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)CN3C(=O)C4=C(C3=O)C(=O)CC=C4)C5=CC=CC=C5)CN

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)CN3C(=O)C4=C(C3=O)C(=O)CC=C4)C5=CC=CC=C5)CN

InChI

InChI=1S/C29H27N3O4/c1-17(2)15-31-23(14-30)25(19-7-4-3-5-8-19)22-13-18(11-12-20(22)27(31)34)16-32-28(35)21-9-6-10-24(33)26(21)29(32)36/h3-9,11-13,17H,10,14-16,30H2,1-2H3