2-[4-fluoranyl-2-(trifluoromethyl)phenyl]carbonyl-N-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide

Systemtic Name: 2-[4-fluoranyl-2-(trifluoromethyl)phenyl]carbonyl-N-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide Openeye Name: 2-[4-fluoro-2-(trifluoromethyl)benzoyl]-N-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide CAS Name: 2-[[4-fluoro-2-(trifluoromethyl)phenyl]-oxomethyl]-N-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide IUPAC Name: 2-[4-fluoro-2-(trifluoromethyl)benzoyl]-N-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide Traditional Name: 2-[4-fluoro-2-(trifluoromethyl)benzoyl]-N-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide Formula: C27H24F4N2O2 MolecularWeight: 484.485273

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)C(=O)NCCCC3=CC=CC=C3)C(=O)C4=C(C=C(C=C4)F)C(F)(F)F

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)C(=O)NCCCC3=CC=CC=C3)C(=O)C4=C(C=C(C=C4)F)C(F)(F)F

InChI

InChI=1S/C27H24F4N2O2/c28-22-10-11-23(24(16-22)27(29,30)31)26(35)33-14-12-19-15-20(8-9-21(19)17-33)25(34)32-13-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16H,4,7,12-14,17H2,(H,32,34)