ethyl 7-chloranyl-4-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]quinoline-2-carboxylate

Systemtic Name: ethyl 7-chloranyl-4-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]quinoline-2-carboxylate Openeye Name: ethyl 7-chloro-4-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]quinoline-2-carboxylate CAS Name: 7-chloro-4-[4-[(4-fluoroanilino)-oxomethyl]-1-piperazinyl]-2-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-4-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]quinoline-2-carboxylate Traditional Name: 7-chloro-4-[4-[(4-fluorophenyl)carbamoyl]piperazino]quinaldic acid ethyl ester Formula: C23H22ClFN4O3 MolecularWeight: 456.897183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(C=CC(=C2)Cl)C(=C1)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=NC2=C(C=CC(=C2)Cl)C(=C1)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C23H22ClFN4O3/c1-2-32-22(30)20-14-21(18-8-3-15(24)13-19(18)27-20)28-9-11-29(12-10-28)23(31)26-17-6-4-16(25)5-7-17/h3-8,13-14H,2,9-12H2,1H3,(H,26,31)