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

Systemtic Name: 4-[2-(3-methylphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(m-tolyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-(3-methylphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(3-methylphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-(m-tolyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butylamine Formula: C21H20F6N2 MolecularWeight: 414.387319

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F6N2/c1-12-5-4-6-13(9-12)19-15(7-2-3-8-28)18-16(21(25,26)27)10-14(20(22,23)24)11-17(18)29-19/h4-6,9-11,29H,2-3,7-8,28H2,1H3