3-[[6-fluoranyl-2-(3-fluorophenyl)-1H-indol-3-yl]carbonyl]piperazine-1-carboxylic acid

Systemtic Name: 3-[[6-fluoranyl-2-(3-fluorophenyl)-1H-indol-3-yl]carbonyl]piperazine-1-carboxylic acid Openeye Name: 3-[6-fluoro-2-(3-fluorophenyl)-1H-indole-3-carbonyl]piperazine-1-carboxylic acid CAS Name: 3-[[6-fluoro-2-(3-fluorophenyl)-1H-indol-3-yl]-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 3-[6-fluoro-2-(3-fluorophenyl)-1H-indole-3-carbonyl]piperazine-1-carboxylic acid Traditional Name: 3-[6-fluoro-2-(3-fluorophenyl)-1H-indole-3-carbonyl]piperazine-1-carboxylic acid Formula: C20H17F2N3O3 MolecularWeight: 385.364086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C(=O)C2=C(NC3=C2C=CC(=C3)F)C4=CC(=CC=C4)F)C(=O)O

Isomeric SMILES

C1CN(CC(N1)C(=O)C2=C(NC3=C2C=CC(=C3)F)C4=CC(=CC=C4)F)C(=O)O

InChI

InChI=1S/C20H17F2N3O3/c21-12-3-1-2-11(8-12)18-17(14-5-4-13(22)9-15(14)24-18)19(26)16-10-25(20(27)28)7-6-23-16/h1-5,8-9,16,23-24H,6-7,10H2,(H,27,28)