3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-8-(trifluoromethyl)-2,5-dihydro-1H-3-benzazepin-4-one

Systemtic Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-8-(trifluoromethyl)-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-8-(trifluoromethyl)-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-8-(trifluoromethyl)-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-8-(trifluoromethyl)-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 3-[3-[homoveratryl(methyl)amino]propyl]-8-(trifluoromethyl)-2,5-dihydro-1H-3-benzazepin-4-one Formula: C25H31F3N2O3 MolecularWeight: 464.52045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CCC2=C(CC1=O)C=CC(=C2)C(F)(F)F)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(CCCN1CCC2=C(CC1=O)C=CC(=C2)C(F)(F)F)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H31F3N2O3/c1-29(13-9-18-5-8-22(32-2)23(15-18)33-3)11-4-12-30-14-10-20-16-21(25(26,27)28)7-6-19(20)17-24(30)31/h5-8,15-16H,4,9-14,17H2,1-3H3