3-methyl-1-[1-(4-methylphenyl)-7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one

Systemtic Name: 3-methyl-1-[1-(4-methylphenyl)-7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Openeye Name: 1-[7-hydroxy-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one CAS Name: 1-[7-hydroxy-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-1-butanone IUPAC Name: 1-[7-hydroxy-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one Traditional Name: 1-[7-hydroxy-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(CCN2C(=O)CC(C)C)C=CC(=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(CCN2C(=O)CC(C)C)C=CC(=C3)O

InChI

InChI=1S/C21H25NO2/c1-14(2)12-20(24)22-11-10-16-8-9-18(23)13-19(16)21(22)17-6-4-15(3)5-7-17/h4-9,13-14,21,23H,10-12H2,1-3H3