2-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenethyloxy-isoquinolin-3-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenethyloxy-isoquinolin-3-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(6-chloro-2-methyl-1-oxo-4-phenethyloxy-3-isoquinolyl)methyl]isoindoline-1,3-dione CAS Name: 2-[(6-chloro-2-methyl-1-oxo-4-phenethyloxy-3-isoquinolinyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(6-chloro-2-methyl-1-oxo-4-phenethyloxyisoquinolin-3-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(6-chloro-1-keto-2-methyl-4-phenethyloxy-3-isoquinolyl)methyl]isoindoline-1,3-quinone Formula: C27H21ClN2O4 MolecularWeight: 472.91964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)OCCC3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)OCCC3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H21ClN2O4/c1-29-23(16-30-26(32)19-9-5-6-10-20(19)27(30)33)24(34-14-13-17-7-3-2-4-8-17)22-15-18(28)11-12-21(22)25(29)31/h2-12,15H,13-14,16H2,1H3