1-[1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one

Systemtic Name: 1-[1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one Openeye Name: 1-[1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one CAS Name: 1-[1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-pentanone IUPAC Name: 1-[1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one Traditional Name: 1-[1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one Formula: C23H28FNO4 MolecularWeight: 401.471123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)F)OC)OC

Isomeric SMILES

CCCCC(=O)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)F)OC)OC

InChI

InChI=1S/C23H28FNO4/c1-4-5-6-23(26)25-12-11-16-13-21(27-2)22(28-3)14-19(16)20(25)15-29-18-9-7-17(24)8-10-18/h7-10,13-14,20H,4-6,11-12,15H2,1-3H3