4-fluoranyl-1-oxaldehydoyl-2-[4-(phenylcarbonyl)piperazin-1-yl]indole-7-carboxylic acid

Systemtic Name: 4-fluoranyl-1-oxaldehydoyl-2-[4-(phenylcarbonyl)piperazin-1-yl]indole-7-carboxylic acid Openeye Name: 2-(4-benzoylpiperazin-1-yl)-4-fluoro-1-oxaldehydoyl-indole-7-carboxylic acid CAS Name: 2-(4-benzoyl-1-piperazinyl)-4-fluoro-1-oxaldehydoyl-7-indolecarboxylic acid IUPAC Name: 2-(4-benzoylpiperazin-1-yl)-4-fluoro-1-oxaldehydoylindole-7-carboxylic acid Traditional Name: 2-(4-benzoylpiperazino)-4-fluoro-1-glyoxyloyl-indole-7-carboxylic acid Formula: C22H18FN3O5 MolecularWeight: 423.393823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=C(C=CC(=C3N2C(=O)C=O)C(=O)O)F)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC3=C(C=CC(=C3N2C(=O)C=O)C(=O)O)F)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18FN3O5/c23-17-7-6-15(22(30)31)20-16(17)12-18(26(20)19(28)13-27)24-8-10-25(11-9-24)21(29)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,30,31)