3-[[4-[bromanyl(ethyl)carbamoyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-[bromanyl(ethyl)carbamoyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-[bromo(ethyl)carbamoyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-[[bromo(ethyl)amino]-oxomethyl]-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-[bromo(ethyl)carbamoyl]piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[4-[bromo(ethyl)carbamoyl]piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C24H25BrN4O3 MolecularWeight: 497.3843

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)Br

Isomeric SMILES

CCN(C(=O)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)Br

InChI

InChI=1S/C24H25BrN4O3/c1-2-29(25)24(32)28-14-12-27(13-15-28)16-19-21(23(30)31)18-10-6-7-11-20(18)26-22(19)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,30,31)