3-(4-azanylbutyl)-2-[4-chloranyl-3-(trifluoromethyl)phenyl]-1H-indole-5-carbonitrile

Systemtic Name: 3-(4-azanylbutyl)-2-[4-chloranyl-3-(trifluoromethyl)phenyl]-1H-indole-5-carbonitrile Openeye Name: 3-(4-aminobutyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-indole-5-carbonitrile CAS Name: 3-(4-aminobutyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-indole-5-carbonitrile IUPAC Name: 3-(4-aminobutyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-indole-5-carbonitrile Traditional Name: 3-(4-aminobutyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-indole-5-carbonitrile Formula: C20H17ClF3N3 MolecularWeight: 391.81729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C#N)C(=C(N2)C3=CC(=C(C=C3)Cl)C(F)(F)F)CCCCN

Isomeric SMILES

C1=CC2=C(C=C1C#N)C(=C(N2)C3=CC(=C(C=C3)Cl)C(F)(F)F)CCCCN

InChI

InChI=1S/C20H17ClF3N3/c21-17-6-5-13(10-16(17)20(22,23)24)19-14(3-1-2-8-25)15-9-12(11-26)4-7-18(15)27-19/h4-7,9-10,27H,1-3,8,25H2