1-[1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one

Systemtic Name: 1-[1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Openeye Name: 1-[1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one CAS Name: 1-[1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-butanone IUPAC Name: 1-[1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Traditional Name: 1-[1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Formula: C29H33NO3 MolecularWeight: 443.57722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC2=CC(=C(C=C2C1CC(C3=CC=CC=C3)C4=CC=CC=C4)OC)OC

Isomeric SMILES

CCCC(=O)N1CCC2=CC(=C(C=C2C1CC(C3=CC=CC=C3)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C29H33NO3/c1-4-11-29(31)30-17-16-23-18-27(32-2)28(33-3)20-25(23)26(30)19-24(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15,18,20,24,26H,4,11,16-17,19H2,1-3H3