2-[(7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide

Systemtic Name: 2-[(7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide Openeye Name: 2-[(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide CAS Name: 2-[(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide IUPAC Name: 2-[(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide Traditional Name: 2-[(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O2/c30-25-14-13-22-15-17-29(20-24(22)18-25)19-23-11-4-5-12-26(23)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+