2-chloranyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-6-fluoranyl-benzamide

Systemtic Name: 2-chloranyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-6-fluoranyl-benzamide Openeye Name: 2-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-6-fluoro-benzamide CAS Name: 2-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-6-fluorobenzamide IUPAC Name: 2-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-6-fluorobenzamide Traditional Name: 2-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-6-fluoro-benzamide Formula: C26H27ClFN3O MolecularWeight: 451.963483

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=C(C=CC=C2Cl)F)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=C(C=CC=C2Cl)F)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H27ClFN3O/c1-30(2)21-12-10-19(11-13-21)24(31-15-14-18-6-3-4-7-20(18)17-31)16-29-26(32)25-22(27)8-5-9-23(25)28/h3-13,24H,14-17H2,1-2H3,(H,29,32)