7-chloranyl-4-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]quinoline-2-carboxylic acid

Systemtic Name: 7-chloranyl-4-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]quinoline-2-carboxylic acid Openeye Name: 7-chloro-4-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]quinoline-2-carboxylic acid CAS Name: 7-chloro-4-[4-[(4-fluoroanilino)-oxomethyl]-1-piperazinyl]-2-quinolinecarboxylic acid IUPAC Name: 7-chloro-4-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]quinoline-2-carboxylic acid Traditional Name: 7-chloro-4-[4-[(4-fluorophenyl)carbamoyl]piperazino]quinaldic acid Formula: C21H18ClFN4O3 MolecularWeight: 428.844023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=NC3=C2C=CC(=C3)Cl)C(=O)O)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC(=NC3=C2C=CC(=C3)Cl)C(=O)O)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H18ClFN4O3/c22-13-1-6-16-17(11-13)25-18(20(28)29)12-19(16)26-7-9-27(10-8-26)21(30)24-15-4-2-14(23)3-5-15/h1-6,11-12H,7-10H2,(H,24,30)(H,28,29)