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

Systemtic Name: 4-[2-(3,5-dimethylphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(3,5-dimethylphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-(3,5-dimethylphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(3,5-dimethylphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-(3,5-dimethylphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butylamine Formula: C22H22F6N2 MolecularWeight: 428.413899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=C(C=C(C=C3N2)C(F)(F)F)C(F)(F)F)CCCCN)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(C=C(C=C3N2)C(F)(F)F)C(F)(F)F)CCCCN)C

InChI

InChI=1S/C22H22F6N2/c1-12-7-13(2)9-14(8-12)20-16(5-3-4-6-29)19-17(22(26,27)28)10-15(21(23,24)25)11-18(19)30-20/h7-11,30H,3-6,29H2,1-2H3