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

Systemtic Name: 4-[2-(2-methoxy-3-methyl-phenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(2-methoxy-3-methyl-phenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-(2-methoxy-3-methylphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(2-methoxy-3-methylphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-(2-methoxy-3-methyl-phenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butylamine Formula: C22H22F6N2O MolecularWeight: 444.413299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C2=C(C3=C(C=C(C=C3N2)C(F)(F)F)C(F)(F)F)CCCCN

Isomeric SMILES

CC1=CC=CC(=C1OC)C2=C(C3=C(C=C(C=C3N2)C(F)(F)F)C(F)(F)F)CCCCN

InChI

InChI=1S/C22H22F6N2O/c1-12-6-5-8-15(20(12)31-2)19-14(7-3-4-9-29)18-16(22(26,27)28)10-13(21(23,24)25)11-17(18)30-19/h5-6,8,10-11,30H,3-4,7,9,29H2,1-2H3