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

Systemtic Name: 2-[[6-chloranyl-4-(cyclopentylmethoxy)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[6-chloro-4-(cyclopentylmethoxy)-2-methyl-1-oxo-3-isoquinolyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[6-chloro-4-(cyclopentylmethoxy)-2-methyl-1-oxo-3-isoquinolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[6-chloro-4-(cyclopentylmethoxy)-2-methyl-1-oxoisoquinolin-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[6-chloro-4-(cyclopentylmethoxy)-1-keto-2-methyl-3-isoquinolyl]methyl]isoindoline-1,3-quinone Formula: C25H23ClN2O4 MolecularWeight: 450.91412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)OCC3CCCC3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)OCC3CCCC3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H23ClN2O4/c1-27-21(13-28-24(30)17-8-4-5-9-18(17)25(28)31)22(32-14-15-6-2-3-7-15)20-12-16(26)10-11-19(20)23(27)29/h4-5,8-12,15H,2-3,6-7,13-14H2,1H3