4-[2-(1,3-benzodioxol-5-yl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butylamine Formula: C21H18F6N2O2 MolecularWeight: 444.370239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F6N2O2/c22-20(23,24)12-8-14(21(25,26)27)18-13(3-1-2-6-28)19(29-15(18)9-12)11-4-5-16-17(7-11)31-10-30-16/h4-5,7-9,29H,1-3,6,10,28H2