3,4-dihydro-1H-isoquinolin-2-yl-[2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]amino]methyl]thiazol-4-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]amino]methyl]-4-thiazolyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[[(4-fluorobenzyl)-homoveratryl-amino]methyl]thiazol-4-yl]methanone Formula: C31H32FN3O3S MolecularWeight: 545.667483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2=CC=C(C=C2)F)CC3=NC(=CS3)C(=O)N4CCC5=CC=CC=C5C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CC=C(C=C2)F)CC3=NC(=CS3)C(=O)N4CCC5=CC=CC=C5C4)OC

InChI

InChI=1S/C31H32FN3O3S/c1-37-28-12-9-22(17-29(28)38-2)13-15-34(18-23-7-10-26(32)11-8-23)20-30-33-27(21-39-30)31(36)35-16-14-24-5-3-4-6-25(24)19-35/h3-12,17,21H,13-16,18-20H2,1-2H3