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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClF3N3/c21-17-6-5-13(20(22,23)24)10-16(17)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