7-[[2-(methylamino)-3-phenylmethoxy-propyl]amino]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one

Systemtic Name: 7-[[2-(methylamino)-3-phenylmethoxy-propyl]amino]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Openeye Name: 7-[[3-benzyloxy-2-(methylamino)propyl]amino]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one CAS Name: 7-[[2-(methylamino)-3-phenylmethoxypropyl]amino]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-[[2-(methylamino)-3-phenylmethoxypropyl]amino]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-[[3-benzoxy-2-(methylamino)propyl]amino]-3-[2-(trifluoromethyl)phenyl]isocarbostyril Formula: C27H26F3N3O2 MolecularWeight: 481.50945

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CNC1=CC2=C(C=C1)C=C(NC2=O)C3=CC=CC=C3C(F)(F)F)COCC4=CC=CC=C4

Isomeric SMILES

CNC(CNC1=CC2=C(C=C1)C=C(NC2=O)C3=CC=CC=C3C(F)(F)F)COCC4=CC=CC=C4

InChI

InChI=1S/C27H26F3N3O2/c1-31-21(17-35-16-18-7-3-2-4-8-18)15-32-20-12-11-19-13-25(33-26(34)23(19)14-20)22-9-5-6-10-24(22)27(28,29)30/h2-14,21,31-32H,15-17H2,1H3,(H,33,34)