tert-butyl N-[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoranyl-4-oxidanylidene-1H-quinolin-6-yl]carbamate

Systemtic Name: tert-butyl N-[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoranyl-4-oxidanylidene-1H-quinolin-6-yl]carbamate Openeye Name: tert-butyl N-[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoro-4-oxo-1H-quinolin-6-yl]carbamate CAS Name: N-[3-[[(4-chlorophenyl)methylamino]-oxomethyl]-8-fluoro-4-oxo-1H-quinolin-6-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoro-4-oxo-1H-quinolin-6-yl]carbamate Traditional Name: N-[3-[(4-chlorobenzyl)carbamoyl]-8-fluoro-4-keto-1H-quinolin-6-yl]carbamic acid tert-butyl ester Formula: C22H21ClFN3O4 MolecularWeight: 445.871243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC(=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)Cl)F

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC(=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C22H21ClFN3O4/c1-22(2,3)31-21(30)27-14-8-15-18(17(24)9-14)25-11-16(19(15)28)20(29)26-10-12-4-6-13(23)7-5-12/h4-9,11H,10H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)