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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=C(C4=C(C=CC(=C4N3)C(F)(F)F)Cl)CCCCN

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=C(C4=C(C=CC(=C4N3)C(F)(F)F)Cl)CCCCN

InChI

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