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

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

Isomeric SMILES

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

InChI

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