4-[5-tert-butyl-2-[2-chloranyl-5-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[5-tert-butyl-2-[2-chloranyl-5-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-tert-butyl-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-tert-butyl-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-tert-butyl-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-tert-butyl-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-indol-3-yl]butylamine Formula: C23H26ClF3N2 MolecularWeight: 422.91415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)NC(=C2CCCCN)C3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)NC(=C2CCCCN)C3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C23H26ClF3N2/c1-22(2,3)14-8-10-20-17(12-14)16(6-4-5-11-28)21(29-20)18-13-15(23(25,26)27)7-9-19(18)24/h7-10,12-13,29H,4-6,11,28H2,1-3H3