2-[[1-methyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-N-(4-phenylbutyl)benzamide

Systemtic Name: 2-[[1-methyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-N-(4-phenylbutyl)benzamide Openeye Name: 2-[(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide CAS Name: 2-[(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide IUPAC Name: 2-[(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide Traditional Name: 2-[(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide Formula: C28H32N2O3 MolecularWeight: 444.56528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1CC3=CC=CC=C3C(=O)NCCCCC4=CC=CC=C4)O)O

Isomeric SMILES

CC1C2=CC(=C(C=C2CCN1CC3=CC=CC=C3C(=O)NCCCCC4=CC=CC=C4)O)O

InChI

InChI=1S/C28H32N2O3/c1-20-25-18-27(32)26(31)17-22(25)14-16-30(20)19-23-12-5-6-13-24(23)28(33)29-15-8-7-11-21-9-3-2-4-10-21/h2-6,9-10,12-13,17-18,20,31-32H,7-8,11,14-16,19H2,1H3,(H,29,33)