2-[(6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide

Systemtic Name: 2-[(6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide Openeye Name: 2-[(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide CAS Name: 2-[(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide IUPAC Name: 2-[(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide Traditional Name: 2-[(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide Formula: C27H28N2O2 MolecularWeight: 412.52342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)O)CC3=CC=CC=C3C(=O)NCCC=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)O)CC3=CC=CC=C3C(=O)NCC/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O2/c30-25-14-13-23-19-29(17-15-22(23)18-25)20-24-11-4-5-12-26(24)27(31)28-16-7-6-10-21-8-2-1-3-9-21/h1-6,8-14,18,30H,7,15-17,19-20H2,(H,28,31)/b10-6+