3-(4-methylpiperazin-1-yl)carbonyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid

Systemtic Name: 3-(4-methylpiperazin-1-yl)carbonyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid Openeye Name: 3-(4-methylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid CAS Name: 3-[(4-methyl-1-piperazinyl)-oxomethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-methylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid Traditional Name: 3-(4-methylpiperazine-1-carbonyl)-1-[3-(trifluoromethyl)benzyl]indole-2-carboxylic acid Formula: C23H22F3N3O3 MolecularWeight: 445.43429

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC=C4)C(F)(F)F)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC=C4)C(F)(F)F)C(=O)O

InChI

InChI=1S/C23H22F3N3O3/c1-27-9-11-28(12-10-27)21(30)19-17-7-2-3-8-18(17)29(20(19)22(31)32)14-15-5-4-6-16(13-15)23(24,25)26/h2-8,13H,9-12,14H2,1H3,(H,31,32)