4-[4-chloranyl-2-(2-phenoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[4-chloranyl-2-(2-phenoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[4-chloro-2-(2-phenoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[4-chloro-2-(2-phenoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[4-chloro-2-(2-phenoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[4-chloro-2-(2-phenoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butylamine Formula: C25H22ClF3N2O MolecularWeight: 458.90319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2C3=C(C4=C(C=CC(=C4N3)C(F)(F)F)Cl)CCCCN

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2C3=C(C4=C(C=CC(=C4N3)C(F)(F)F)Cl)CCCCN

InChI

InChI=1S/C25H22ClF3N2O/c26-20-14-13-19(25(27,28)29)24-22(20)18(11-6-7-15-30)23(31-24)17-10-4-5-12-21(17)32-16-8-2-1-3-9-16/h1-5,8-10,12-14,31H,6-7,11,15,30H2