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

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)-4-chloranyl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)-4-chloro-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-4-chloro-7-(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)-4-chloro-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-4-chloro-7-(trifluoromethyl)-1H-indol-3-yl]butylamine Formula: C20H18ClF3N2O2 MolecularWeight: 410.81733

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C4=C(C=CC(=C4N3)C(F)(F)F)Cl)CCCCN

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C4=C(C=CC(=C4N3)C(F)(F)F)Cl)CCCCN

InChI

InChI=1S/C20H18ClF3N2O2/c21-14-6-5-13(20(22,23)24)19-17(14)12(3-1-2-8-25)18(26-19)11-4-7-15-16(9-11)28-10-27-15/h4-7,9,26H,1-3,8,10,25H2