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

Systemtic Name: 4-[5-chloranyl-2-(3,4-diethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-chloro-2-(3,4-diethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-chloro-2-(3,4-diethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-chloro-2-(3,4-diethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-chloro-2-(3,4-diethoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butylamine Formula: C23H26ClF3N2O2 MolecularWeight: 454.91295

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C(C3=CC(=CC(=C3N2)C(F)(F)F)Cl)CCCCN)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C(C3=CC(=CC(=C3N2)C(F)(F)F)Cl)CCCCN)OCC

InChI

InChI=1S/C23H26ClF3N2O2/c1-3-30-19-9-8-14(11-20(19)31-4-2)21-16(7-5-6-10-28)17-12-15(24)13-18(22(17)29-21)23(25,26)27/h8-9,11-13,29H,3-7,10,28H2,1-2H3