4-(5-fluoranyl-1-methyl-2-phenyl-indol-3-yl)carbonyl-2-piperazin-1-yl-pyridine-3-carboxylic acid

Systemtic Name: 4-(5-fluoranyl-1-methyl-2-phenyl-indol-3-yl)carbonyl-2-piperazin-1-yl-pyridine-3-carboxylic acid Openeye Name: 4-(5-fluoro-1-methyl-2-phenyl-indole-3-carbonyl)-2-piperazin-1-yl-pyridine-3-carboxylic acid CAS Name: 4-[(5-fluoro-1-methyl-2-phenyl-3-indolyl)-oxomethyl]-2-(1-piperazinyl)-3-pyridinecarboxylic acid IUPAC Name: 4-(5-fluoro-1-methyl-2-phenylindole-3-carbonyl)-2-piperazin-1-ylpyridine-3-carboxylic acid Traditional Name: 4-(5-fluoro-1-methyl-2-phenyl-indole-3-carbonyl)-2-piperazino-nicotinic acid Formula: C26H23FN4O3 MolecularWeight: 458.484223

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)F)C(=C1C3=CC=CC=C3)C(=O)C4=C(C(=NC=C4)N5CCNCC5)C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)F)C(=C1C3=CC=CC=C3)C(=O)C4=C(C(=NC=C4)N5CCNCC5)C(=O)O

InChI

InChI=1S/C26H23FN4O3/c1-30-20-8-7-17(27)15-19(20)21(23(30)16-5-3-2-4-6-16)24(32)18-9-10-29-25(22(18)26(33)34)31-13-11-28-12-14-31/h2-10,15,28H,11-14H2,1H3,(H,33,34)