1-(4-bromophenyl)-3-[(1R)-7-methoxy-1-methyl-6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one

Systemtic Name: 1-(4-bromophenyl)-3-[(1R)-7-methoxy-1-methyl-6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one Openeye Name: 1-(4-bromophenyl)-3-[(1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one CAS Name: 1-(4-bromophenyl)-3-[(1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-propen-1-one IUPAC Name: 1-(4-bromophenyl)-3-[(1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one Traditional Name: 1-(4-bromophenyl)-3-[(1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1C=CC(=O)C3=CC=C(C=C3)Br)O)OC

Isomeric SMILES

C[C@@H]1C2=CC(=C(C=C2CCN1C=CC(=O)C3=CC=C(C=C3)Br)O)OC

InChI

InChI=1S/C20H20BrNO3/c1-13-17-12-20(25-2)19(24)11-15(17)7-9-22(13)10-8-18(23)14-3-5-16(21)6-4-14/h3-6,8,10-13,24H,7,9H2,1-2H3/t13-/m1/s1