ethyl 5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]carbonyl-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]carbonyl-1H-indole-2-carboxylate Openeye Name: ethyl 5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-1H-indole-2-carboxylate CAS Name: 5-[oxo-[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-1H-indole-2-carboxylate Traditional Name: 5-[4-[3-(trifluoromethyl)benzyl]piperazine-1-carbonyl]-1H-indole-2-carboxylic acid ethyl ester Formula: C24H24F3N3O3 MolecularWeight: 459.46087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C(=O)N3CCN(CC3)CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C(=O)N3CCN(CC3)CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C24H24F3N3O3/c1-2-33-23(32)21-14-18-13-17(6-7-20(18)28-21)22(31)30-10-8-29(9-11-30)15-16-4-3-5-19(12-16)24(25,26)27/h3-7,12-14,28H,2,8-11,15H2,1H3