9-[4-(morpholin-4-ylmethyl)phenyl]-6-(1-oxidanylpropyl)-2H-benzo[h]isoquinolin-1-one

Systemtic Name: 9-[4-(morpholin-4-ylmethyl)phenyl]-6-(1-oxidanylpropyl)-2H-benzo[h]isoquinolin-1-one Openeye Name: 6-(1-hydroxypropyl)-9-[4-(morpholinomethyl)phenyl]-2H-benzo[h]isoquinolin-1-one CAS Name: 6-(1-hydroxypropyl)-9-[4-(4-morpholinylmethyl)phenyl]-2H-benzo[h]isoquinolin-1-one IUPAC Name: 6-(1-hydroxypropyl)-9-[4-(morpholin-4-ylmethyl)phenyl]-2H-benzo[h]isoquinolin-1-one Traditional Name: 6-(1-hydroxypropyl)-9-[4-(morpholinomethyl)phenyl]-2H-benz[h]isoquinolin-1-one Formula: C27H28N2O3 MolecularWeight: 428.52282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C2C=CC(=CC2=C3C(=C1)C=CNC3=O)C4=CC=C(C=C4)CN5CCOCC5)O

Isomeric SMILES

CCC(C1=C2C=CC(=CC2=C3C(=C1)C=CNC3=O)C4=CC=C(C=C4)CN5CCOCC5)O

InChI

InChI=1S/C27H28N2O3/c1-2-25(30)23-16-21-9-10-28-27(31)26(21)24-15-20(7-8-22(23)24)19-5-3-18(4-6-19)17-29-11-13-32-14-12-29/h3-10,15-16,25,30H,2,11-14,17H2,1H3,(H,28,31)