6-(azetidin-1-ylmethyl)-9-[4-(3-oxidanylpropyl)phenyl]-2H-benzo[h]isoquinolin-1-one

Systemtic Name: 6-(azetidin-1-ylmethyl)-9-[4-(3-oxidanylpropyl)phenyl]-2H-benzo[h]isoquinolin-1-one Openeye Name: 6-(azetidin-1-ylmethyl)-9-[4-(3-hydroxypropyl)phenyl]-2H-benzo[h]isoquinolin-1-one CAS Name: 6-(1-azetidinylmethyl)-9-[4-(3-hydroxypropyl)phenyl]-2H-benzo[h]isoquinolin-1-one IUPAC Name: 6-(azetidin-1-ylmethyl)-9-[4-(3-hydroxypropyl)phenyl]-2H-benzo[h]isoquinolin-1-one Traditional Name: 6-(azetidin-1-ylmethyl)-9-[4-(3-hydroxypropyl)phenyl]-2H-benz[h]isoquinolin-1-one Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)CC2=C3C=CC(=CC3=C4C(=C2)C=CNC4=O)C5=CC=C(C=C5)CCCO

Isomeric SMILES

C1CN(C1)CC2=C3C=CC(=CC3=C4C(=C2)C=CNC4=O)C5=CC=C(C=C5)CCCO

InChI

InChI=1S/C26H26N2O2/c29-14-1-3-18-4-6-19(7-5-18)20-8-9-23-22(17-28-12-2-13-28)15-21-10-11-27-26(30)25(21)24(23)16-20/h4-11,15-16,29H,1-3,12-14,17H2,(H,27,30)