4-[5-chloranyl-2-(2-phenoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[5-chloranyl-2-(2-phenoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-chloro-2-(2-phenoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-chloro-2-(2-phenoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-chloro-2-(2-phenoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-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=CC(=CC(=C4N3)C(F)(F)F)Cl)CCCCN

Isomeric SMILES

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

InChI

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