N-(2-azanyl-2-cyclopropyl-ethyl)-2-[2-(trifluoromethyl)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide

Systemtic Name: N-(2-azanyl-2-cyclopropyl-ethyl)-2-[2-(trifluoromethyl)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide Openeye Name: N-(2-amino-2-cyclopropyl-ethyl)-2-[2-(trifluoromethyl)benzoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide CAS Name: N-(2-amino-2-cyclopropylethyl)-2-[oxo-[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide IUPAC Name: N-(2-amino-2-cyclopropylethyl)-2-[2-(trifluoromethyl)benzoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide Traditional Name: N-(2-amino-2-cyclopropyl-ethyl)-2-[2-(trifluoromethyl)benzoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide Formula: C23H24F3N3O2 MolecularWeight: 431.45077

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(CNC(=O)C2=CC3=C(CN(CC3)C(=O)C4=CC=CC=C4C(F)(F)F)C=C2)N

Isomeric SMILES

C1CC1C(CNC(=O)C2=CC3=C(CN(CC3)C(=O)C4=CC=CC=C4C(F)(F)F)C=C2)N

InChI

InChI=1S/C23H24F3N3O2/c24-23(25,26)19-4-2-1-3-18(19)22(31)29-10-9-15-11-16(7-8-17(15)13-29)21(30)28-12-20(27)14-5-6-14/h1-4,7-8,11,14,20H,5-6,9-10,12-13,27H2,(H,28,30)